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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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).