N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide

C16H17N3O — CID 146106040

IUPACN-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C16H17N3O/c1-2-16(20)17-11-12-3-7-14(8-4-12)19-10-9-15(18-19)13-5-6-13/h2-4,7-10,13H,1,5-6,11H2,(H,17,20)
InChIKeyCHQXNXOQPOJHLV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds5

About N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide

N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide (PubChem CID 146106040) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide
PubChem CID146106040
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1
InChIInChI=1S/C16H17N3O/c1-2-16(20)17-11-12-3-7-14(8-4-12)19-10-9-15(18-19)13-5-6-13/h2-4,7-10,13H,1,5-6,11H2,(H,17,20)
InChIKeyCHQXNXOQPOJHLV-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]-4-(dimethylamino)but-2-enamide
CID 146097735
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
CID 166403509
4-[1-[4-(aminomethyl)phenyl]pyrazol-3-yl]piperidine-1-carboxylic acid
CID 129140009
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
N-[[4-(9-hydroxy-3-azaspiro[5.5]undecane-3-carbonyl)phenyl]methyl]prop-2-enamide
CID 166405747
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]prop-2-enamide
CID 166406452
(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 55184071
1-[4-(3-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 62488991
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62493956
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide (CID 146106040) is N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1.
What is the InChIKey of N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is CHQXNXOQPOJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-16(20)17-11-12-3-7-14(8-4-12)19-10-9-15(18-19)13-5-6-13/h2-4,7-10,13H,1,5-6,11H2,(H,17,20).
What are the key properties of N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide?
N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 146106040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).