5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide

C21H21ClN4O5 — CID 4808544

IUPAC5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC
InChIInChI=1S/C21H21ClN4O5/c1-12-17(19(22)26(25-12)14-8-6-5-7-9-14)21(28)24-23-20(27)13-10-15(29-2)18(31-4)16(11-13)30-3/h5-11H,1-4H3,(H,23,27)(H,24,28)
InChIKeyIFCYCCAEYUQQQL-UHFFFAOYSA-N
MW444.88 g/mol
LogP2.93
Rot. Bonds6

About 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide

5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide (PubChem CID 4808544) has the molecular formula C21H21ClN4O5 and a molecular weight of 444.88 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
PubChem CID4808544
Molecular FormulaC21H21ClN4O5
Molecular Weight444.88 g/mol
Exact Mass444.12
IUPAC Name5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC
InChIInChI=1S/C21H21ClN4O5/c1-12-17(19(22)26(25-12)14-8-6-5-7-9-14)21(28)24-23-20(27)13-10-15(29-2)18(31-4)16(11-13)30-3/h5-11H,1-4H3,(H,23,27)(H,24,28)
InChIKeyIFCYCCAEYUQQQL-UHFFFAOYSA-N
XLogP2.93
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78771628
5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 18225535
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468504
(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576204
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708
(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879677
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 47824634
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24516009

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide (CID 4808544) is 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC.
What is the InChIKey of 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The InChIKey is IFCYCCAEYUQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O5/c1-12-17(19(22)26(25-12)14-8-6-5-7-9-14)21(28)24-23-20(27)13-10-15(29-2)18(31-4)16(11-13)30-3/h5-11H,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide has a molecular weight of 444.88 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 4808544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).