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

C12H20N4O2 — CID 63104155

IUPAC4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-8-2-4-12(7-17,5-3-8)15-11(18)10-9(13)6-14-16-10/h6,8,17H,2-5,7,13H2,1H3,(H,14,16)(H,15,18)
InChIKeyCUEXCUSJROVLGU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.66
Rot. Bonds3

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

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 63104155) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID63104155
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-8-2-4-12(7-17,5-3-8)15-11(18)10-9(13)6-14-16-10/h6,8,17H,2-5,7,13H2,1H3,(H,14,16)(H,15,18)
InChIKeyCUEXCUSJROVLGU-UHFFFAOYSA-N
XLogP0.66
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
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

4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62527236
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide (CID 63104155) is 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide is CC1CCC(CO)(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CUEXCUSJROVLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-2-4-12(7-17,5-3-8)15-11(18)10-9(13)6-14-16-10/h6,8,17H,2-5,7,13H2,1H3,(H,14,16)(H,15,18).
What are the key properties of 4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.66, 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]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).