N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide

C15H15N3O — CID 99832496

IUPACN,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C15H15N3O/c1-4-10-17(2)15(19)13-11-18(3)16-14(13)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3
InChIKeyIFTGALYRIDBTMM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.79
Rot. Bonds3

About N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide

N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide (PubChem CID 99832496) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide
PubChem CID99832496
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC NameN,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(C)C(=O)c1cn(C)nc1-c1ccccc1
InChIInChI=1S/C15H15N3O/c1-4-10-17(2)15(19)13-11-18(3)16-14(13)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3
InChIKeyIFTGALYRIDBTMM-UHFFFAOYSA-N
XLogP1.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228298
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
CID 99832245
N,5-dimethyl-1-phenyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 42656765
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106
N-(cyanomethyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103662448
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 38746467
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-prop-2-ynylurea
CID 122132230
1-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 159069154

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide (CID 99832496) is N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide is C#CCN(C)C(=O)c1cn(C)nc1-c1ccccc1.
What is the InChIKey of N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide?
The InChIKey is IFTGALYRIDBTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-4-10-17(2)15(19)13-11-18(3)16-14(13)12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3.
What are the key properties of N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide?
N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide is sourced from PubChem (CID 99832496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).