N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide

C12H9N3O — CID 61284929

IUPACN-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C12H9N3O/c1-2-12(16)14-10-5-3-9(4-6-10)11-7-8-13-15-11/h1,3-8H,(H,13,15)(H,14,16)
InChIKeyYSRVBBCAXFOFCE-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.65
Rot. Bonds2

About N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide

N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide (PubChem CID 61284929) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
PubChem CID61284929
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C12H9N3O/c1-2-12(16)14-10-5-3-9(4-6-10)11-7-8-13-15-11/h1,3-8H,(H,13,15)(H,14,16)
InChIKeyYSRVBBCAXFOFCE-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.65
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-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
N-(4-methylphenyl)prop-2-ynamide
CID 14491742
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
1-cyclobutyl-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 115645017
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide?
The IUPAC name of N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide (CID 61284929) is N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide?
The canonical SMILES for N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide is C#CC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide?
The InChIKey is YSRVBBCAXFOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-12(16)14-10-5-3-9(4-6-10)11-7-8-13-15-11/h1,3-8H,(H,13,15)(H,14,16).
What are the key properties of N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide?
N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide has a molecular weight of 211.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-ynamide is sourced from PubChem (CID 61284929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).