N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide

C15H25N3O2 — CID 126808268

IUPACN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-9-14(8-17-18)15(20)16-7-12-4-3-5-13(6-12)10-19/h8-9,11-13,19H,3-7,10H2,1-2H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyKQSRLHWHYRPHPO-QWHCGFSZSA-N
MW279.38 g/mol
LogP1.99
Rot. Bonds5

About N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 126808268) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID126808268
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-9-14(8-17-18)15(20)16-7-12-4-3-5-13(6-12)10-19/h8-9,11-13,19H,3-7,10H2,1-2H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyKQSRLHWHYRPHPO-QWHCGFSZSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129401216
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
CID 138035484
5-cyclopropyl-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrazole-4-carboxamide
CID 126813188
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide;formic acid
CID 171712819
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide
CID 4582597
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylurea
CID 130921204
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 100906688

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 126808268) is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1.
What is the InChIKey of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KQSRLHWHYRPHPO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-9-14(8-17-18)15(20)16-7-12-4-3-5-13(6-12)10-19/h8-9,11-13,19H,3-7,10H2,1-2H3,(H,16,20)/t12-,13+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126808268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).