N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide

C21H22FN3O — CID 138674538

IUPACN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)nn1C
InChIInChI=1S/C21H22FN3O/c1-15-14-20(24-25(15)2)21(26)23-13-5-6-16-9-11-17(12-10-16)18-7-3-4-8-19(18)22/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26)
InChIKeyNBKSRCKQQRKTEE-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.90
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 138674538) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID138674538
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)nn1C
InChIInChI=1S/C21H22FN3O/c1-15-14-20(24-25(15)2)21(26)23-13-5-6-16-9-11-17(12-10-16)18-7-3-4-8-19(18)22/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26)
InChIKeyNBKSRCKQQRKTEE-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
CID 138674657
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 138674443
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 138674482
1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
CID 110409079
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide (CID 138674538) is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)nn1C.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NBKSRCKQQRKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15-14-20(24-25(15)2)21(26)23-13-5-6-16-9-11-17(12-10-16)18-7-3-4-8-19(18)22/h3-4,7-12,14H,5-6,13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 138674538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).