5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide

C17H15ClFN5O — CID 122640425

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H15ClFN5O/c1-9-4-3-5-12(19)15(9)24-16(20)14(10(2)23-24)17(25)22-13-7-6-11(18)8-21-13/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyUMEJVIBAIZWHKJ-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.51
Rot. Bonds3

About 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide

5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 122640425) has the molecular formula C17H15ClFN5O and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID122640425
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H15ClFN5O/c1-9-4-3-5-12(19)15(9)24-16(20)14(10(2)23-24)17(25)22-13-7-6-11(18)8-21-13/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyUMEJVIBAIZWHKJ-UHFFFAOYSA-N
XLogP3.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide (CID 122640425) is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide is Cc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is UMEJVIBAIZWHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c1-9-4-3-5-12(19)15(9)24-16(20)14(10(2)23-24)17(25)22-13-7-6-11(18)8-21-13/h3-8H,20H2,1-2H3,(H,21,22,25).
What are the key properties of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide?
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122640425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).