4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide

C15H24N4O2 — CID 136551076

IUPAC4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCC2CCCCCC2)c(C(N)=O)n1
InChIInChI=1S/C15H24N4O2/c1-19-10-12(14(18-19)15(16)21)17-13(20)9-8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyCFEPRPKPRWYCQX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds5

About 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide

4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide (PubChem CID 136551076) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide
PubChem CID136551076
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCC2CCCCCC2)c(C(N)=O)n1
InChIInChI=1S/C15H24N4O2/c1-19-10-12(14(18-19)15(16)21)17-13(20)9-8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyCFEPRPKPRWYCQX-UHFFFAOYSA-N
XLogP2.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide (CID 136551076) is 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)CCC2CCCCCC2)c(C(N)=O)n1.
What is the InChIKey of 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is CFEPRPKPRWYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19-10-12(14(18-19)15(16)21)17-13(20)9-8-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,16,21)(H,17,20).
What are the key properties of 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide?
4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).