3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

C19H28N6O3 — CID 164879753

IUPAC3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc(C3CC(CC(=O)NC(C)C)C3)[nH]n2)n(C)n1
InChIInChI=1S/C19H28N6O3/c1-11(2)20-18(26)7-12-5-13(6-12)15-9-17(23-22-15)21-19(27)16-8-14(10-28-4)24-25(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,26)(H2,21,22,23,27)
InChIKeyHVYBEJWNHHEDNR-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.95
Rot. Bonds8

About 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide

3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 164879753) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID164879753
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)Nc2cc(C3CC(CC(=O)NC(C)C)C3)[nH]n2)n(C)n1
InChIInChI=1S/C19H28N6O3/c1-11(2)20-18(26)7-12-5-13(6-12)15-9-17(23-22-15)21-19(27)16-8-14(10-28-4)24-25(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,26)(H2,21,22,23,27)
InChIKeyHVYBEJWNHHEDNR-UHFFFAOYSA-N
XLogP1.95
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719219
3-(methoxymethyl)-1-methyl-N-[5-[(1R,3R)-3-(5-methylpyrimidin-2-yl)cyclopentyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 171719207
N-[5-[3-[(3-tert-butyl-1-methylpyrazol-4-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 164880253
[(1R,2R,4S)-2-fluoro-4-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141951
N-[5-[(1S,3S,4R)-3-fluoro-4-(4-propan-2-ylpyridazin-3-yl)oxycyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 169143537
N-[5-[(1R,3S)-3-[(2,4-dimethyl-3-pyridinyl)oxy]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719188
[(1S,2R,4R)-2-fluoro-4-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142117
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
CID 170073133
[(1R,2R,3R)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate;[(1S,2S,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl]-propan-2-ylcarbamic acid
CID 175931390
[(1R,2R,3R)-2-fluoro-3-[3-[[1-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169142938
[(1S,2R,3S)-2-fluoro-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143466

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 164879753) is 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is COCc1cc(C(=O)Nc2cc(C3CC(CC(=O)NC(C)C)C3)[nH]n2)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is HVYBEJWNHHEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-11(2)20-18(26)7-12-5-13(6-12)15-9-17(23-22-15)21-19(27)16-8-14(10-28-4)24-25(16)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,20,26)(H2,21,22,23,27).
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 164879753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).