1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide

C13H15N3O — CID 19281566

IUPAC1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)13(17)14-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKeyPVAREJDJSSOKCX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds2

About 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide

1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 19281566) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID19281566
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)13(17)14-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKeyPVAREJDJSSOKCX-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 65345706
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
N-[3-(chloromethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114293235
N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
CID 24672088
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
1,3,5-trimethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 32607033
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide (CID 19281566) is 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is PVAREJDJSSOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)13(17)14-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17).
What are the key properties of 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide?
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).