5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C15H16FN3O — CID 25341933

IUPAC5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16FN3O/c1-19(9-10-3-2-4-12(16)7-10)15(20)14-8-13(17-18-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,17,18)
InChIKeyBLCJSKDQGPNQSU-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.70
Rot. Bonds4

About 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 25341933) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID25341933
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16FN3O/c1-19(9-10-3-2-4-12(16)7-10)15(20)14-8-13(17-18-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,17,18)
InChIKeyBLCJSKDQGPNQSU-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 25341933) is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BLCJSKDQGPNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-10-3-2-4-12(16)7-10)15(20)14-8-13(17-18-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).