2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

C12H13ClN4O2 — CID 61052437

IUPAC2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2cccnc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-6-5-17-8-9(7-15-17)16-12(18)10-3-2-4-14-11(10)13/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyIHLFUZPAJFDEDD-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.83
Rot. Bonds5

About 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 61052437) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID61052437
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2cccnc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-6-5-17-8-9(7-15-17)16-12(18)10-3-2-4-14-11(10)13/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyIHLFUZPAJFDEDD-UHFFFAOYSA-N
XLogP1.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (CID 61052437) is 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is COCCn1cc(NC(=O)c2cccnc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is IHLFUZPAJFDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-19-6-5-17-8-9(7-15-17)16-12(18)10-3-2-4-14-11(10)13/h2-4,7-8H,5-6H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 61052437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).