4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 62527236

IUPAC4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(CO)CCC(C)CC2)c1N
InChIInChI=1S/C13H22N4O2/c1-8-3-5-13(7-18,6-4-8)15-12(19)11-10(14)9(2)16-17-11/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyITXDEUBEVXUJBP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62527236) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62527236
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2(CO)CCC(C)CC2)c1N
InChIInChI=1S/C13H22N4O2/c1-8-3-5-13(7-18,6-4-8)15-12(19)11-10(14)9(2)16-17-11/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyITXDEUBEVXUJBP-UHFFFAOYSA-N
XLogP0.97
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 63104155
4-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62527424
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 66170407

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 62527236) is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2(CO)CCC(C)CC2)c1N.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ITXDEUBEVXUJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-3-5-13(7-18,6-4-8)15-12(19)11-10(14)9(2)16-17-11/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62527236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).