N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C17H18FN5O — CID 78880128

IUPACN-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C17H18FN5O/c1-9-7-12(18)5-6-13(9)19-17(24)15-8-14(20-21-15)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21)
InChIKeyRRRVXNWEBKGDLM-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.13
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880128) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880128
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C17H18FN5O/c1-9-7-12(18)5-6-13(9)19-17(24)15-8-14(20-21-15)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21)
InChIKeyRRRVXNWEBKGDLM-UHFFFAOYSA-N
XLogP3.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880128) is N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RRRVXNWEBKGDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-9-7-12(18)5-6-13(9)19-17(24)15-8-14(20-21-15)16-10(2)22-23(4)11(16)3/h5-8H,1-4H3,(H,19,24)(H,20,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).