3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide

C22H21N5O2 — CID 1051316

IUPAC3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C(=O)NN=Cc3c(C)[nH]c4ccccc34)c2C)cc1
InChIInChI=1S/C22H21N5O2/c1-13-20(15-8-10-16(29-3)11-9-15)25-26-21(13)22(28)27-23-12-18-14(2)24-19-7-5-4-6-17(18)19/h4-12,24H,1-3H3,(H,25,26)(H,27,28)
InChIKeyQUUGDAWYDPGHGC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.95
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 1051316) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID1051316
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C(=O)NN=Cc3c(C)[nH]c4ccccc34)c2C)cc1
InChIInChI=1S/C22H21N5O2/c1-13-20(15-8-10-16(29-3)11-9-15)25-26-21(13)22(28)27-23-12-18-14(2)24-19-7-5-4-6-17(18)19/h4-12,24H,1-3H3,(H,25,26)(H,27,28)
InChIKeyQUUGDAWYDPGHGC-UHFFFAOYSA-N
XLogP3.95
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 135679597
3-(4-methoxyphenyl)-4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5410247
2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6863444
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 136915601
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
3-(3,4-dichlorophenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136915483
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136820467
2-(6-methoxynaphthalen-2-yl)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]propanamide
CID 135606153
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 1051316) is 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc(-c2n[nH]c(C(=O)NN=Cc3c(C)[nH]c4ccccc34)c2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is QUUGDAWYDPGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-20(15-8-10-16(29-3)11-9-15)25-26-21(13)22(28)27-23-12-18-14(2)24-19-7-5-4-6-17(18)19/h4-12,24H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-N-[(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1051316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).