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

C10H9ClN4O — CID 1225828

IUPACN-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C10H9ClN4O/c1-15-6-4-8(14-15)10(16)13-7-3-2-5-12-9(7)11/h2-6H,1H3,(H,13,16)
InChIKeyYVRMXXACSQLHKW-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.72
Rot. Bonds2

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

N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 1225828) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID1225828
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C10H9ClN4O/c1-15-6-4-8(14-15)10(16)13-7-3-2-5-12-9(7)11/h2-6H,1H3,(H,13,16)
InChIKeyYVRMXXACSQLHKW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 1225828) is N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccnc2Cl)n1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YVRMXXACSQLHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-15-6-4-8(14-15)10(16)13-7-3-2-5-12-9(7)11/h2-6H,1H3,(H,13,16).
What are the key properties of N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-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 N-(2-chloro-3-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1225828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).