(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C19H25N3O — CID 19327964

IUPAC(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25N3O/c1-15(2)18-8-5-17(6-9-18)7-10-19(23)20-11-4-12-22-14-16(3)13-21-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,23)/b10-7+
InChIKeyFRFSJIRIGHZQCA-JXMROGBWSA-N
MW311.43 g/mol
LogP3.53
Rot. Bonds7

About (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 19327964) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID19327964
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25N3O/c1-15(2)18-8-5-17(6-9-18)7-10-19(23)20-11-4-12-22-14-16(3)13-21-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,23)/b10-7+
InChIKeyFRFSJIRIGHZQCA-JXMROGBWSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19581807
(E)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19283339
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19327940
(Z)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 134013484
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
(E)-N-but-3-enyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 113466047
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 19327964) is (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1cnn(CCCNC(=O)/C=C/c2ccc(C(C)C)cc2)c1.
What is the InChIKey of (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is FRFSJIRIGHZQCA-JXMROGBWSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)18-8-5-17(6-9-18)7-10-19(23)20-11-4-12-22-14-16(3)13-21-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,20,23)/b10-7+.
What are the key properties of (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 311.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 19327964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).