1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide

C20H17N5O — CID 8984307

IUPAC1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
SMILESCn1cc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-24-14-18(17-9-5-6-10-19(17)24)20(26)23-21-11-15-12-22-25(13-15)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,26)/b21-11-
InChIKeyFMCMZEJFOJYNIR-NHDPSOOVSA-N
MW343.39 g/mol
LogP3.13
Rot. Bonds4

About 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide

1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide (PubChem CID 8984307) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
PubChem CID8984307
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
SMILESCn1cc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-24-14-18(17-9-5-6-10-19(17)24)20(26)23-21-11-15-12-22-25(13-15)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,26)/b21-11-
InChIKeyFMCMZEJFOJYNIR-NHDPSOOVSA-N
XLogP3.13
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
CID 910419
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
1-(2-methoxyethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea
CID 8978981
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
(5S)-5-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8981405
3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 8984176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide (CID 8984307) is 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide is Cn1cc(C(=O)N/N=C\c2cnn(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide?
The InChIKey is FMCMZEJFOJYNIR-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H17N5O/c1-24-14-18(17-9-5-6-10-19(17)24)20(26)23-21-11-15-12-22-25(13-15)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,26)/b21-11-.
What are the key properties of 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide?
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide is sourced from PubChem (CID 8984307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).