3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide

C19H22FN5O — CID 46975029

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)[nH]n1
InChIInChI=1S/C19H22FN5O/c1-12-15(10-25(4)24-12)16-9-17(23-22-16)18(26)21-11-19(2,3)13-6-5-7-14(20)8-13/h5-10H,11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeySPPGYKNGFJENMU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.97
Rot. Bonds5

About 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide

3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide (PubChem CID 46975029) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide
PubChem CID46975029
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)[nH]n1
InChIInChI=1S/C19H22FN5O/c1-12-15(10-25(4)24-12)16-9-17(23-22-16)18(26)21-11-19(2,3)13-6-5-7-14(20)8-13/h5-10H,11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeySPPGYKNGFJENMU-UHFFFAOYSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 46975020
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138034558
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46975017
3-tert-butyl-1-[(4-fluorophenyl)methyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]pyrazole-5-carboxamide
CID 155986695
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 46978635
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide (CID 46975029) is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)[nH]n1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SPPGYKNGFJENMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-15(10-25(4)24-12)16-9-17(23-22-16)18(26)21-11-19(2,3)13-6-5-7-14(20)8-13/h5-10H,11H2,1-4H3,(H,21,26)(H,22,23).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-fluorophenyl)-2-methylpropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46975029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).