N-phenyl-2-propylpyrazole-3-carboxamide

C13H15N3O — CID 39891941

IUPACN-phenyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-10-16-12(8-9-14-16)13(17)15-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,17)
InChIKeyBCGRZVOUMNRPMJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.55
Rot. Bonds4

About N-phenyl-2-propylpyrazole-3-carboxamide

N-phenyl-2-propylpyrazole-3-carboxamide (PubChem CID 39891941) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-phenyl-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-propylpyrazole-3-carboxamide
PubChem CID39891941
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-phenyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N3O/c1-2-10-16-12(8-9-14-16)13(17)15-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,17)
InChIKeyBCGRZVOUMNRPMJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
CID 1225480
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539
2-nitro-N-phenylpyrazole-3-carboxamide
CID 69091209
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanone
CID 63975501
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
2-[3-oxo-3-(4-phenylanilino)propyl]pyrazole-3-carboxylic acid
CID 19492142

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-phenyl-2-propylpyrazole-3-carboxamide (CID 39891941) is N-phenyl-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-phenyl-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-phenyl-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-propylpyrazole-3-carboxamide?
The InChIKey is BCGRZVOUMNRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-10-16-12(8-9-14-16)13(17)15-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,15,17).
What are the key properties of N-phenyl-2-propylpyrazole-3-carboxamide?
N-phenyl-2-propylpyrazole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 39891941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).