1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide

C23H26FN3O2 — CID 52777542

IUPAC1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C23H26FN3O2/c1-15(5-6-18-7-13-21(29-4)14-8-18)25-23(28)22-16(2)26-27(17(22)3)20-11-9-19(24)10-12-20/h7-15H,5-6H2,1-4H3,(H,25,28)/t15-/m1/s1
InChIKeyORBOPBMALIZECR-OAHLLOKOSA-N
MW395.48 g/mol
LogP4.39
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 52777542) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID52777542
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C23H26FN3O2/c1-15(5-6-18-7-13-21(29-4)14-8-18)25-23(28)22-16(2)26-27(17(22)3)20-11-9-19(24)10-12-20/h7-15H,5-6H2,1-4H3,(H,25,28)/t15-/m1/s1
InChIKeyORBOPBMALIZECR-OAHLLOKOSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55385283
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 60595873
N-[4-(4-bromophenyl)butan-2-yl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 60566161
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]butanoic acid
CID 119224154
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881887
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890
5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42818350
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 43020556
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 52777542) is 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide is COc1ccc(CC[C@@H](C)NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is ORBOPBMALIZECR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15(5-6-18-7-13-21(29-4)14-8-18)25-23(28)22-16(2)26-27(17(22)3)20-11-9-19(24)10-12-20/h7-15H,5-6H2,1-4H3,(H,25,28)/t15-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 52777542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).