5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide

C19H19ClN4O2 — CID 140861984

IUPAC5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(Cl)ccc1NC(=O)c1cnn(-c2cccc(C)c2C)c1N
InChIInChI=1S/C19H19ClN4O2/c1-11-5-4-6-16(12(11)2)24-18(21)14(10-22-24)19(25)23-15-8-7-13(20)9-17(15)26-3/h4-10H,21H2,1-3H3,(H,23,25)
InChIKeyXMFUDIGHKRDGSP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.99
Rot. Bonds4

About 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide

5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide (PubChem CID 140861984) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
PubChem CID140861984
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(Cl)ccc1NC(=O)c1cnn(-c2cccc(C)c2C)c1N
InChIInChI=1S/C19H19ClN4O2/c1-11-5-4-6-16(12(11)2)24-18(21)14(10-22-24)19(25)23-15-8-7-13(20)9-17(15)26-3/h4-10H,21H2,1-3H3,(H,23,25)
InChIKeyXMFUDIGHKRDGSP-UHFFFAOYSA-N
XLogP3.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
5-chloro-N-(2,3-dimethylphenyl)-2-hydrazinylbenzamide
CID 62241246
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide (CID 140861984) is 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide is COc1cc(Cl)ccc1NC(=O)c1cnn(-c2cccc(C)c2C)c1N.
What is the InChIKey of 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide?
The InChIKey is XMFUDIGHKRDGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11-5-4-6-16(12(11)2)24-18(21)14(10-22-24)19(25)23-15-8-7-13(20)9-17(15)26-3/h4-10H,21H2,1-3H3,(H,23,25).
What are the key properties of 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide?
5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 140861984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).