4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H22N4O — CID 64747408

IUPAC4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-3-9-5-4-6-10(7-9)15-13(18)12-11(14)8(2)16-17-12/h9-10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXCBCEQBSMONMAQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.00
Rot. Bonds3

About 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 64747408) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID64747408
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCCC(NC(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H22N4O/c1-3-9-5-4-6-10(7-9)15-13(18)12-11(14)8(2)16-17-12/h9-10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXCBCEQBSMONMAQ-UHFFFAOYSA-N
XLogP2.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
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4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
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4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide
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N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
4-amino-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
CID 62305249
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 64747408) is 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide is CCC1CCCC(NC(=O)c2n[nH]c(C)c2N)C1.
What is the InChIKey of 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XCBCEQBSMONMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-5-4-6-10(7-9)15-13(18)12-11(14)8(2)16-17-12/h9-10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 64747408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).