N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H15ClN4O — CID 6263552

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15ClN4O/c16-11-5-3-4-10(8-11)9-17-20-15(21)14-12-6-1-2-7-13(12)18-19-14/h3-5,8-9H,1-2,6-7H2,(H,18,19)(H,20,21)/b17-9-
InChIKeyYAWKUSXSGCSSTJ-MFOYZWKCSA-N
MW302.76 g/mol
LogP2.71
Rot. Bonds3

About N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 6263552) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID6263552
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15ClN4O/c16-11-5-3-4-10(8-11)9-17-20-15(21)14-12-6-1-2-7-13(12)18-19-14/h3-5,8-9H,1-2,6-7H2,(H,18,19)(H,20,21)/b17-9-
InChIKeyYAWKUSXSGCSSTJ-MFOYZWKCSA-N
XLogP2.71
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(4-chlorobenzylidene)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861960
Suprafenacine
CID 6861947
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N'-[(E)-(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861946
N'-[(E)-(2,6-dichlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861972
N'-[(E)-(2,4-dichlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6880896
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid benzylidene-hydrazide
CID 6864069
(E)-N'-(2,4-dichlorobenzylidene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 6888230
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 6889059
N'-(4-bromobenzylidene)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6862977
3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 3123525

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 6263552) is N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C\c1cccc(Cl)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YAWKUSXSGCSSTJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-5-3-4-10(8-11)9-17-20-15(21)14-12-6-1-2-7-13(12)18-19-14/h3-5,8-9H,1-2,6-7H2,(H,18,19)(H,20,21)/b17-9-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 6263552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).