N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H24N4O3 — CID 110125792

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C19H24N4O3/c1-23(19(25)17-13-6-2-7-14(13)21-22-17)15-8-3-9-16(18(15)24)26-12-5-4-10-20-11-12/h4-5,10-11,15-16,18,24H,2-3,6-9H2,1H3,(H,21,22)/t15-,16-,18-/m1/s1
InChIKeyHCCOMYMPMJJKMR-JFIYKMOQSA-N
MW356.43 g/mol
LogP1.73
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110125792) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110125792
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C19H24N4O3/c1-23(19(25)17-13-6-2-7-14(13)21-22-17)15-8-3-9-16(18(15)24)26-12-5-4-10-20-11-12/h4-5,10-11,15-16,18,24H,2-3,6-9H2,1H3,(H,21,22)/t15-,16-,18-/m1/s1
InChIKeyHCCOMYMPMJJKMR-JFIYKMOQSA-N
XLogP1.73
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164628411
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
CID 110125701
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166179
(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol
CID 110146338
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110125760
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129006334

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110125792) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HCCOMYMPMJJKMR-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23(19(25)17-13-6-2-7-14(13)21-22-17)15-8-3-9-16(18(15)24)26-12-5-4-10-20-11-12/h4-5,10-11,15-16,18,24H,2-3,6-9H2,1H3,(H,21,22)/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110125792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).