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

C10H8Cl2N4O — CID 3136981

IUPAC4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C10H8Cl2N4O/c1-16-5-7(12)9(15-16)10(17)14-8-3-2-6(11)4-13-8/h2-5H,1H3,(H,13,14,17)
InChIKeyIUNKAJZHTBHHSO-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.37
Rot. Bonds2

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

4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 3136981) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID3136981
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C10H8Cl2N4O/c1-16-5-7(12)9(15-16)10(17)14-8-3-2-6(11)4-13-8/h2-5H,1H3,(H,13,14,17)
InChIKeyIUNKAJZHTBHHSO-UHFFFAOYSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 3136981) is 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is IUNKAJZHTBHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-16-5-7(12)9(15-16)10(17)14-8-3-2-6(11)4-13-8/h2-5H,1H3,(H,13,14,17).
What are the key properties of 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 3136981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).