N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide

C19H17N3O — CID 91469780

IUPACN-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1n[nH]c2ccccc12)Nc1cccc(C2CC2)c1
InChIInChI=1S/C19H17N3O/c23-19(20-15-5-3-4-14(12-15)13-8-9-13)11-10-18-16-6-1-2-7-17(16)21-22-18/h1-7,10-13H,8-9H2,(H,20,23)(H,21,22)
InChIKeyJDQVDBSIAUWKRD-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.09
Rot. Bonds4

About N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide

N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide (PubChem CID 91469780) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide
PubChem CID91469780
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1n[nH]c2ccccc12)Nc1cccc(C2CC2)c1
InChIInChI=1S/C19H17N3O/c23-19(20-15-5-3-4-14(12-15)13-8-9-13)11-10-18-16-6-1-2-7-17(16)21-22-18/h1-7,10-13H,8-9H2,(H,20,23)(H,21,22)
InChIKeyJDQVDBSIAUWKRD-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-3-(1H-indazol-3-yl)prop-2-enamide
CID 68953216
N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
CID 69239970
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
CID 134152211
(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
CID 68954689
ethyl 4-[2-[4-[3-(1H-indazol-3-yl)prop-2-enoylamino]-2-methoxyphenoxy]ethylamino]piperidine-1-carboxylate
CID 68950285
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
(E)-N-(2-hydroxypropyl)-3-(1H-indazol-3-yl)-N-[3-(methylamino)phenyl]prop-2-enamide
CID 25253089
3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole
CID 143268068
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
CID 62686211

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide?
The IUPAC name of N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide (CID 91469780) is N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide is O=C(C=Cc1n[nH]c2ccccc12)Nc1cccc(C2CC2)c1.
What is the InChIKey of N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide?
The InChIKey is JDQVDBSIAUWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(20-15-5-3-4-14(12-15)13-8-9-13)11-10-18-16-6-1-2-7-17(16)21-22-18/h1-7,10-13H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide?
N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide is sourced from PubChem (CID 91469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).