3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide

C19H19N5O — CID 869972

IUPAC3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cc2c([nH]1)CCCC2)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N5O/c25-19(18-11-17(22-23-18)13-6-2-1-3-7-13)24-20-12-15-10-14-8-4-5-9-16(14)21-15/h1-3,6-7,10-12,21H,4-5,8-9H2,(H,22,23)(H,24,25)
InChIKeyQSTHJBMUTSZGQX-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.05
Rot. Bonds4

About 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide

3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 869972) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID869972
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NN=Cc1cc2c([nH]1)CCCC2)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H19N5O/c25-19(18-11-17(22-23-18)13-6-2-1-3-7-13)24-20-12-15-10-14-8-4-5-9-16(14)21-15/h1-3,6-7,10-12,21H,4-5,8-9H2,(H,22,23)(H,24,25)
InChIKeyQSTHJBMUTSZGQX-UHFFFAOYSA-N
XLogP3.05
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
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

3-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135519161
N-[(E)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135519116
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
2-[[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 2048561
N-[(E)-(2-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6897161
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
N-[(2,4-dimethylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 58755391
N-(furan-2-ylmethylideneamino)-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 4095176
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 7326946

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 869972) is 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide is O=C(NN=Cc1cc2c([nH]1)CCCC2)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is QSTHJBMUTSZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(18-11-17(22-23-18)13-6-2-1-3-7-13)24-20-12-15-10-14-8-4-5-9-16(14)21-15/h1-3,6-7,10-12,21H,4-5,8-9H2,(H,22,23)(H,24,25).
What are the key properties of 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 869972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).