1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide

C24H21FN4O — CID 40795701

IUPAC1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C24H21FN4O/c1-16-6-5-7-18(14-16)23-21(15-29(28-23)20-11-9-19(25)10-12-20)24(30)27-17(2)22-8-3-4-13-26-22/h3-15,17H,1-2H3,(H,27,30)/t17-/m0/s1
InChIKeyDIXIPLFDAOSSIW-KRWDZBQOSA-N
MW400.46 g/mol
LogP4.87
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide (PubChem CID 40795701) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
PubChem CID40795701
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C24H21FN4O/c1-16-6-5-7-18(14-16)23-21(15-29(28-23)20-11-9-19(25)10-12-20)24(30)27-17(2)22-8-3-4-13-26-22/h3-15,17H,1-2H3,(H,27,30)/t17-/m0/s1
InChIKeyDIXIPLFDAOSSIW-KRWDZBQOSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 112758981
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
1-(4-fluorophenyl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46576724
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 112833610
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
3-(3-methylphenyl)-N-[(2S)-4-(4-methylpiperazin-1-yl)butan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 99785537
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46593839

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide (CID 40795701) is 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)c2ccccn2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
The InChIKey is DIXIPLFDAOSSIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-16-6-5-7-18(14-16)23-21(15-29(28-23)20-11-9-19(25)10-12-20)24(30)27-17(2)22-8-3-4-13-26-22/h3-15,17H,1-2H3,(H,27,30)/t17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 40795701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).