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

C17H15ClFN5O — CID 122640612

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H15ClFN5O/c1-9-12(19)4-3-5-13(9)24-16(20)15(10(2)23-24)17(25)22-14-7-6-11(18)8-21-14/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyRZGDNQIOOQDAAD-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.51
Rot. Bonds3

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

5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 122640612) 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-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID122640612
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H15ClFN5O/c1-9-12(19)4-3-5-13(9)24-16(20)15(10(2)23-24)17(25)22-14-7-6-11(18)8-21-14/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyRZGDNQIOOQDAAD-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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Related Compounds

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CID 135402958
CID 10647621
CID 10647621
CID 59227397
CID 59227397
CID 137375517
CID 137375517
CID 141731689
CID 141731689
CID 141731693
CID 141731693
CID 141731711
CID 141731711
CID 141731718
CID 141731718
CID 141731723
CID 141731723
CID 135402952
CID 135402952

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide (CID 122640612) is 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(-c2cccc(F)c2C)c(N)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is RZGDNQIOOQDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c1-9-12(19)4-3-5-13(9)24-16(20)15(10(2)23-24)17(25)22-14-7-6-11(18)8-21-14/h3-8H,20H2,1-2H3,(H,21,22,25).
What are the key properties of 5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
5-amino-N-(5-chloro-2-pyridinyl)-1-(3-fluoro-2-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-(3-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122640612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).