4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide

C12H20N4O2 — CID 59733437

IUPAC4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(17)14-8-3-5-9(18-2)6-4-8/h7-9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyCJAYUBOFKHMVOL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 59733437) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID59733437
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(17)14-8-3-5-9(18-2)6-4-8/h7-9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyCJAYUBOFKHMVOL-UHFFFAOYSA-N
XLogP0.69
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65355546
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 122445348
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate
CID 65355995
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide (CID 59733437) is 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide is COC1CCC(NC(=O)c2nn(C)cc2N)CC1.
What is the InChIKey of 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is CJAYUBOFKHMVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-7-10(13)11(15-16)12(17)14-8-3-5-9(18-2)6-4-8/h7-9H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 59733437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).