3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide

C15H15N3O — CID 115672265

IUPAC3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
SMILESCCCc1cc(NC(=O)C#Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H15N3O/c1-2-6-13-11-14(18-17-13)16-15(19)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyYGQQDZWPUDNDRQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.35
Rot. Bonds3

About 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide

3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide (PubChem CID 115672265) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
PubChem CID115672265
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
SMILESCCCc1cc(NC(=O)C#Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H15N3O/c1-2-6-13-11-14(18-17-13)16-15(19)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyYGQQDZWPUDNDRQ-UHFFFAOYSA-N
XLogP2.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
3-amino-3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104618213
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide?
The IUPAC name of 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide (CID 115672265) is 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide is CCCc1cc(NC(=O)C#Cc2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide?
The InChIKey is YGQQDZWPUDNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-6-13-11-14(18-17-13)16-15(19)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide?
3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide has a molecular weight of 253.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide is sourced from PubChem (CID 115672265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).