4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide

C10H9ClN4O — CID 700794

IUPAC4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccnc1
InChIInChI=1S/C10H9ClN4O/c1-15-9(8(11)6-13-15)10(16)14-7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16)
InChIKeyCIHNYPANAZBRCY-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.72
Rot. Bonds2

About 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide

4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide (PubChem CID 700794) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
PubChem CID700794
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccnc1
InChIInChI=1S/C10H9ClN4O/c1-15-9(8(11)6-13-15)10(16)14-7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16)
InChIKeyCIHNYPANAZBRCY-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide (CID 700794) is 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cccnc1.
What is the InChIKey of 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide?
The InChIKey is CIHNYPANAZBRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-15-9(8(11)6-13-15)10(16)14-7-3-2-4-12-5-7/h2-6H,1H3,(H,14,16).
What are the key properties of 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide?
4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 700794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).