1-benzyl-3-cyclopropylpyrazole-4-carboxamide

C14H15N3O — CID 156875605

IUPAC1-benzyl-3-cyclopropylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C14H15N3O/c15-14(18)12-9-17(16-13(12)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,15,18)
InChIKeyZWQFWWXXAYCJES-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.91
Rot. Bonds4

About 1-benzyl-3-cyclopropylpyrazole-4-carboxamide

1-benzyl-3-cyclopropylpyrazole-4-carboxamide (PubChem CID 156875605) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-3-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-cyclopropylpyrazole-4-carboxamide
PubChem CID156875605
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzyl-3-cyclopropylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C14H15N3O/c15-14(18)12-9-17(16-13(12)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,15,18)
InChIKeyZWQFWWXXAYCJES-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-cyclopropylpyrazole-4-carboxamide (CID 156875605) is 1-benzyl-3-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-cyclopropylpyrazole-4-carboxamide is NC(=O)c1cn(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of 1-benzyl-3-cyclopropylpyrazole-4-carboxamide?
The InChIKey is ZWQFWWXXAYCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)12-9-17(16-13(12)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,15,18).
What are the key properties of 1-benzyl-3-cyclopropylpyrazole-4-carboxamide?
1-benzyl-3-cyclopropylpyrazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 156875605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).