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

C16H27N3O2 — CID 126813204

IUPACN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-12(2)9-19-10-15(8-18-19)16(21)17-7-13-4-3-5-14(6-13)11-20/h8,10,12-14,20H,3-7,9,11H2,1-2H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyWZLMBIOYQMMVCL-UONOGXRCSA-N
MW293.41 g/mol
LogP2.07
Rot. Bonds6

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

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 126813204) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID126813204
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1
InChIInChI=1S/C16H27N3O2/c1-12(2)9-19-10-15(8-18-19)16(21)17-7-13-4-3-5-14(6-13)11-20/h8,10,12-14,20H,3-7,9,11H2,1-2H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyWZLMBIOYQMMVCL-UONOGXRCSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 126813204) is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cn1.
What is the InChIKey of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is WZLMBIOYQMMVCL-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)9-19-10-15(8-18-19)16(21)17-7-13-4-3-5-14(6-13)11-20/h8,10,12-14,20H,3-7,9,11H2,1-2H3,(H,17,21)/t13-,14+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.07, 6 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-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 126813204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).