5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide

C23H27F2N3O — CID 24863396

IUPAC5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
InChIKeyIMCVTIXYEXGOHH-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.56
Rot. Bonds6

About 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide

5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863396) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863396
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1
InChIInChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)
InChIKeyIMCVTIXYEXGOHH-UHFFFAOYSA-N
XLogP5.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 23586165
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CID 10195027
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CID 10195768
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CID 10286584
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CID 10308676
CID 10308676
CID 10309476
CID 10309476
CID 10309662
CID 10309662
CID 10310151
CID 10310151
CID 24901501
CID 24901501
CID 11848366
CID 11848366
CID 44435350
CID 44435350
CID 15604796
CID 15604796

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide (CID 24863396) is 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1cccc(F)c1.
What is the InChIKey of 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IMCVTIXYEXGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-4-5-9-21-20(16-7-6-8-19(25)14-16)15-28(27-21)22(29)26-23(2,3)17-10-12-18(24)13-11-17/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29).
What are the key properties of 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide?
5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(3-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).