3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

C23H26N4O3 — CID 170258643

IUPAC3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C)nc1
InChIInChI=1S/C23H26N4O3/c1-15-7-8-16(12-24-15)14-30-21-6-4-5-18(22(21)29-3)13-25-23(28)20-11-19(17-9-10-17)26-27(20)2/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,25,28)
InChIKeyTYBCDEUCAIRBOU-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.52
Rot. Bonds8

About 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 170258643) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID170258643
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C)nc1
InChIInChI=1S/C23H26N4O3/c1-15-7-8-16(12-24-15)14-30-21-6-4-5-18(22(21)29-3)13-25-23(28)20-11-19(17-9-10-17)26-27(20)2/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,25,28)
InChIKeyTYBCDEUCAIRBOU-UHFFFAOYSA-N
XLogP3.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

3-cyclopropyl-N-[[2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 168731230
N-[[3-[[4-(4-butylsulfonylpiperazine-1-carbonyl)phenyl]methoxy]-2-methoxyphenyl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 168731233
3-cyclopropyl-N-[[2-methoxy-3-[[4-[2-methyl-4-(2-methylpropylsulfonyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 168731239
3-cyclopropyl-1-ethyl-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 122587993
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
CID 55908630
1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 55738342
3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine
CID 158219506
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 170258643) is 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is COc1c(CNC(=O)c2cc(C3CC3)nn2C)cccc1OCc1ccc(C)nc1.
What is the InChIKey of 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is TYBCDEUCAIRBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-7-8-16(12-24-15)14-30-21-6-4-5-18(22(21)29-3)13-25-23(28)20-11-19(17-9-10-17)26-27(20)2/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,25,28).
What are the key properties of 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[2-methoxy-3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 170258643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).