N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

C16H27N3O2 — CID 126808258

IUPACN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cnn1C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19-12(3)15(9-18-19)16(21)17-8-13-5-4-6-14(7-13)10-20/h9,11,13-14,20H,4-8,10H2,1-3H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyUFWXFYCSXNZJPC-UONOGXRCSA-N
MW293.41 g/mol
LogP2.30
Rot. Bonds5

About N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 126808258) 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]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID126808258
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cnn1C(C)C
InChIInChI=1S/C16H27N3O2/c1-11(2)19-12(3)15(9-18-19)16(21)17-8-13-5-4-6-14(7-13)10-20/h9,11,13-14,20H,4-8,10H2,1-3H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyUFWXFYCSXNZJPC-UONOGXRCSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 126808258) is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cnn1C(C)C.
What is the InChIKey of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UFWXFYCSXNZJPC-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19-12(3)15(9-18-19)16(21)17-8-13-5-4-6-14(7-13)10-20/h9,11,13-14,20H,4-8,10H2,1-3H3,(H,17,21)/t13-,14+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide?
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.30, 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]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126808258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).