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

C17H15ClFN5O2 — CID 122640650

IUPAC5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H15ClFN5O2/c1-9-14(17(25)22-13-7-6-10(18)8-21-13)16(20)24(23-9)15-11(19)4-3-5-12(15)26-2/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyUWNQPEYEQXLOPQ-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.21
Rot. Bonds4

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

5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 122640650) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID122640650
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC Name5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cccc(F)c1-n1nc(C)c(C(=O)Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H15ClFN5O2/c1-9-14(17(25)22-13-7-6-10(18)8-21-13)16(20)24(23-9)15-11(19)4-3-5-12(15)26-2/h3-8H,20H2,1-2H3,(H,21,22,25)
InChIKeyUWNQPEYEQXLOPQ-UHFFFAOYSA-N
XLogP3.21
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 122640425
5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 122640471
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
5-amino-N-(4-chloro-2-fluorophenyl)-1-[2-(2-methoxyethoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 122640594
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 23463895
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 122640650) is 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide is COc1cccc(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-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is UWNQPEYEQXLOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-9-14(17(25)22-13-7-6-10(18)8-21-13)16(20)24(23-9)15-11(19)4-3-5-12(15)26-2/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-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122640650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).