3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid

C25H29N5O5 — CID 170650527

IUPAC3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2cc(C3CC4C(C3)C4C(=O)O)nn2Cc2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C25H29N5O5/c1-29-21(10-16(27-29)13-34-2)24(31)26-22-11-20(15-8-18-19(9-15)23(18)25(32)33)28-30(22)12-14-4-6-17(35-3)7-5-14/h4-7,10-11,15,18-19,23H,8-9,12-13H2,1-3H3,(H,26,31)(H,32,33)
InChIKeyLNDMJLZBDAOMGB-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.90
Rot. Bonds9

About 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid

3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 170650527) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID170650527
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2cc(C3CC4C(C3)C4C(=O)O)nn2Cc2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C25H29N5O5/c1-29-21(10-16(27-29)13-34-2)24(31)26-22-11-20(15-8-18-19(9-15)23(18)25(32)33)28-30(22)12-14-4-6-17(35-3)7-5-14/h4-7,10-11,15,18-19,23H,8-9,12-13H2,1-3H3,(H,26,31)(H,32,33)
InChIKeyLNDMJLZBDAOMGB-UHFFFAOYSA-N
XLogP2.90
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

3-tert-butyl-N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzamide
CID 71588503
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 170073507
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 154693169
[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616458
3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 171719207
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 164879753
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 25241935
N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 164880253
3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29097064
3-cyclopropyl-N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-5-carboxamide
CID 95745014

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid (CID 170650527) is 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid is COCc1cc(C(=O)Nc2cc(C3CC4C(C3)C4C(=O)O)nn2Cc2ccc(OC)cc2)n(C)n1.
What is the InChIKey of 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is LNDMJLZBDAOMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-29-21(10-16(27-29)13-34-2)24(31)26-22-11-20(15-8-18-19(9-15)23(18)25(32)33)28-30(22)12-14-4-6-17(35-3)7-5-14/h4-7,10-11,15,18-19,23H,8-9,12-13H2,1-3H3,(H,26,31)(H,32,33).
What are the key properties of 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 479.54 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 170650527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).