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

C12H20N4O2 — CID 113359537

IUPAC4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H20N4O2/c13-9-6-15-16-10(9)11(18)14-7-12(8-17)4-2-1-3-5-12/h6,17H,1-5,7-8,13H2,(H,14,18)(H,15,16)
InChIKeyBRJJQPQGQUIVCU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.66
Rot. Bonds4

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

4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 113359537) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID113359537
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H20N4O2/c13-9-6-15-16-10(9)11(18)14-7-12(8-17)4-2-1-3-5-12/h6,17H,1-5,7-8,13H2,(H,14,18)(H,15,16)
InChIKeyBRJJQPQGQUIVCU-UHFFFAOYSA-N
XLogP0.66
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 115363144
5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 103965259
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 63104155
4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
CID 103965202
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 112699653
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide (CID 113359537) is 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BRJJQPQGQUIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-9-6-15-16-10(9)11(18)14-7-12(8-17)4-2-1-3-5-12/h6,17H,1-5,7-8,13H2,(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.66, 4 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)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 113359537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).