N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C15H16FN3O — CID 71920081

IUPACN-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C15H16FN3O/c16-13-7-2-1-4-11(13)10-19(12-5-3-6-12)15(20)14-8-9-17-18-14/h1-2,4,7-9,12H,3,5-6,10H2,(H,17,18)
InChIKeyXMOIGZGTEOCXBV-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.74
Rot. Bonds4

About N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 71920081) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID71920081
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C15H16FN3O/c16-13-7-2-1-4-11(13)10-19(12-5-3-6-12)15(20)14-8-9-17-18-14/h1-2,4,7-9,12H,3,5-6,10H2,(H,17,18)
InChIKeyXMOIGZGTEOCXBV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 36746307
4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 24560758
N-(3-aminopropyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 63085072
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 166244177
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea
CID 75426252
1-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]isoquinoline-3-carboxamide
CID 55621998
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 71920081) is N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(Cc1ccccc1F)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XMOIGZGTEOCXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-7-2-1-4-11(13)10-19(12-5-3-6-12)15(20)14-8-9-17-18-14/h1-2,4,7-9,12H,3,5-6,10H2,(H,17,18).
What are the key properties of N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71920081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).