5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C19H20ClN5O — CID 118738376

IUPAC5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1cc(Cl)ccc1-n1ncc(C(=O)N(C)CCc2ccccn2)c1N
InChIInChI=1S/C19H20ClN5O/c1-13-11-14(20)6-7-17(13)25-18(21)16(12-23-25)19(26)24(2)10-8-15-5-3-4-9-22-15/h3-7,9,11-12H,8,10,21H2,1-2H3
InChIKeyZWDFHYOLFMQVMS-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.13
Rot. Bonds5

About 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 118738376) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID118738376
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1cc(Cl)ccc1-n1ncc(C(=O)N(C)CCc2ccccn2)c1N
InChIInChI=1S/C19H20ClN5O/c1-13-11-14(20)6-7-17(13)25-18(21)16(12-23-25)19(26)24(2)10-8-15-5-3-4-9-22-15/h3-7,9,11-12H,8,10,21H2,1-2H3
InChIKeyZWDFHYOLFMQVMS-UHFFFAOYSA-N
XLogP3.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 118738376) is 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is Cc1cc(Cl)ccc1-n1ncc(C(=O)N(C)CCc2ccccn2)c1N.
What is the InChIKey of 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is ZWDFHYOLFMQVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13-11-14(20)6-7-17(13)25-18(21)16(12-23-25)19(26)24(2)10-8-15-5-3-4-9-22-15/h3-7,9,11-12H,8,10,21H2,1-2H3.
What are the key properties of 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118738376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).