N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C16H13Cl2N5O — CID 25155168

IUPACN-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C16H13Cl2N5O/c1-23-13(6-7-20-23)16(24)22-14-5-3-10(15(19)21-14)11-8-9(17)2-4-12(11)18/h2-8H,1H3,(H3,19,21,22,24)
InChIKeyJNRVMLYCWHMQPS-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.62
Rot. Bonds3

About N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 25155168) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID25155168
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC NameN-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C16H13Cl2N5O/c1-23-13(6-7-20-23)16(24)22-14-5-3-10(15(19)21-14)11-8-9(17)2-4-12(11)18/h2-8H,1H3,(H3,19,21,22,24)
InChIKeyJNRVMLYCWHMQPS-UHFFFAOYSA-N
XLogP3.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 25155168) is N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2cc(Cl)ccc2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JNRVMLYCWHMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-23-13(6-7-20-23)16(24)22-14-5-3-10(15(19)21-14)11-8-9(17)2-4-12(11)18/h2-8H,1H3,(H3,19,21,22,24).
What are the key properties of N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25155168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).