N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide

C13H17N3O — CID 115532694

IUPACN-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H17N3O/c1-4-7-16(9-11-5-6-11)13(17)12-8-14-15(3)10(12)2/h1,8,11H,5-7,9H2,2-3H3
InChIKeyBDFVTBMZPJHEAV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.21
Rot. Bonds4

About N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide

N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide (PubChem CID 115532694) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
PubChem CID115532694
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnn(C)c1C
InChIInChI=1S/C13H17N3O/c1-4-7-16(9-11-5-6-11)13(17)12-8-14-15(3)10(12)2/h1,8,11H,5-7,9H2,2-3H3
InChIKeyBDFVTBMZPJHEAV-UHFFFAOYSA-N
XLogP1.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide (CID 115532694) is N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide is C#CCN(CC1CC1)C(=O)c1cnn(C)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide?
The InChIKey is BDFVTBMZPJHEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-7-16(9-11-5-6-11)13(17)12-8-14-15(3)10(12)2/h1,8,11H,5-7,9H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide?
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide is sourced from PubChem (CID 115532694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).