N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide

C19H24N4O — CID 171429720

IUPACN-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(NC2CCCCC2)c(-c2ccn(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-3-19(24)21-15-9-10-17(20-14-7-5-4-6-8-14)16(13-15)18-11-12-23(2)22-18/h3,9-14,20H,1,4-8H2,2H3,(H,21,24)
InChIKeyPOFLJTNHHHADKK-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.96
Rot. Bonds5

About N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide

N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide (PubChem CID 171429720) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide
PubChem CID171429720
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(NC2CCCCC2)c(-c2ccn(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-3-19(24)21-15-9-10-17(20-14-7-5-4-6-8-14)16(13-15)18-11-12-23(2)22-18/h3,9-14,20H,1,4-8H2,2H3,(H,21,24)
InChIKeyPOFLJTNHHHADKK-UHFFFAOYSA-N
XLogP3.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide
CID 156548701
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N-[3-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)amino]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]oxy]phenyl]prop-2-enamide
CID 71695662
N-[4-cyclopropyloxy-2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-[2-(1-methylpyrazol-3-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 165117090
N-[[4-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
CID 169043341
N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
CID 170318336
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
(1S,8R)-N-[4-cyclopropyl-3-(1-methylpyrazol-3-yl)phenyl]-6-fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 176940955
N-[3-[2-[2-fluoro-4-[(1-methylpiperidin-4-yl)amino]anilino]-5-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 122475318
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
1-[3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 168965621

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide (CID 171429720) is N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(NC2CCCCC2)c(-c2ccn(C)n2)c1.
What is the InChIKey of N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is POFLJTNHHHADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-19(24)21-15-9-10-17(20-14-7-5-4-6-8-14)16(13-15)18-11-12-23(2)22-18/h3,9-14,20H,1,4-8H2,2H3,(H,21,24).
What are the key properties of N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide?
N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 171429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).