N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide

C14H15N3O — CID 45497172

IUPACN-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
InChIKeyYAWQTWUACTVACS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.98
Rot. Bonds3

About N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide

N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 45497172) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID45497172
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
InChIKeyYAWQTWUACTVACS-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide (CID 45497172) is N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is YAWQTWUACTVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide?
N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 45497172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).