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

C16H26N4O — CID 62079532

IUPAC4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C16H26N4O/c1-3-10-4-8-12(9-5-10)20(2)16(21)15-13(17)14(18-19-15)11-6-7-11/h10-12H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyFQPJJNZBLXYQIQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.91
Rot. Bonds4

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

4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62079532) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID62079532
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2n[nH]c(C3CC3)c2N)CC1
InChIInChI=1S/C16H26N4O/c1-3-10-4-8-12(9-5-10)20(2)16(21)15-13(17)14(18-19-15)11-6-7-11/h10-12H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyFQPJJNZBLXYQIQ-UHFFFAOYSA-N
XLogP2.91
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide (CID 62079532) is 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide is CCC1CCC(N(C)C(=O)c2n[nH]c(C3CC3)c2N)CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is FQPJJNZBLXYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-10-4-8-12(9-5-10)20(2)16(21)15-13(17)14(18-19-15)11-6-7-11/h10-12H,3-9,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62079532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).