N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide

C15H24N4O2 — CID 68988803

IUPACN-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)C(=O)Nc1cn[nH]c1C(=O)NC1CCCC1
InChIInChI=1S/C15H24N4O2/c1-3-10(4-2)14(20)18-12-9-16-19-13(12)15(21)17-11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPUAKQYKKJQQFDX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.46
Rot. Bonds6

About N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide

N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide (PubChem CID 68988803) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide
PubChem CID68988803
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)C(=O)Nc1cn[nH]c1C(=O)NC1CCCC1
InChIInChI=1S/C15H24N4O2/c1-3-10(4-2)14(20)18-12-9-16-19-13(12)15(21)17-11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPUAKQYKKJQQFDX-UHFFFAOYSA-N
XLogP2.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide (CID 68988803) is N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide is CCC(CC)C(=O)Nc1cn[nH]c1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is PUAKQYKKJQQFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-10(4-2)14(20)18-12-9-16-19-13(12)15(21)17-11-7-5-6-8-11/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-ethylbutanoylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).