5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

C14H18FN3O — CID 142696305

IUPAC5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(N)=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-2-3-4-13-12(9-18(17-13)14(16)19)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,19)
InChIKeyCDBDRMKDZSQTEM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.85
Rot. Bonds4

About 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide

5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142696305) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID142696305
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCC1=NN(C(N)=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-2-3-4-13-12(9-18(17-13)14(16)19)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,19)
InChIKeyCDBDRMKDZSQTEM-UHFFFAOYSA-N
XLogP2.85
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
5-butyl-4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydropyrazole-2-carboxamide
CID 24862715
5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
5-butyl-4-(4-chlorophenyl)-N-[(2R,3R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863862
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 58899503
2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 134583974
ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3791738
1-acetyl-3-ethyl-6,6-bis(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 135067206
(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 139040547
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide (CID 142696305) is 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is CCCCC1=NN(C(N)=O)CC1c1ccc(F)cc1.
What is the InChIKey of 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is CDBDRMKDZSQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-3-4-13-12(9-18(17-13)14(16)19)10-5-7-11(15)8-6-10/h5-8,12H,2-4,9H2,1H3,(H2,16,19).
What are the key properties of 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide?
5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).