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

C12H13ClN4O2 — CID 66482554

IUPAC3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccncc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-5-4-17-8-9(6-15-17)16-12(18)10-2-3-14-7-11(10)13/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyLHVZJIPOMMKVHN-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.83
Rot. Bonds5

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

3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide (PubChem CID 66482554) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
PubChem CID66482554
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccncc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-5-4-17-8-9(6-15-17)16-12(18)10-2-3-14-7-11(10)13/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyLHVZJIPOMMKVHN-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

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Related Compounds

2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyridine-4-carboxamide
CID 66483724
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
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-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide (CID 66482554) is 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide is COCCn1cc(NC(=O)c2ccncc2Cl)cn1.
What is the InChIKey of 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The InChIKey is LHVZJIPOMMKVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-19-5-4-17-8-9(6-15-17)16-12(18)10-2-3-14-7-11(10)13/h2-3,6-8H,4-5H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-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 3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 66482554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).