4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide

C13H15ClN4O2 — CID 122562645

IUPAC4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
SMILESCOCC(NC(=O)c1nn(C)cc1Cl)c1ccccn1
InChIInChI=1S/C13H15ClN4O2/c1-18-7-9(14)12(17-18)13(19)16-11(8-20-2)10-5-3-4-6-15-10/h3-7,11H,8H2,1-2H3,(H,16,19)
InChIKeyINBXUZWUYCGCEO-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.59
Rot. Bonds5

About 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 122562645) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
PubChem CID122562645
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
SMILESCOCC(NC(=O)c1nn(C)cc1Cl)c1ccccn1
InChIInChI=1S/C13H15ClN4O2/c1-18-7-9(14)12(17-18)13(19)16-11(8-20-2)10-5-3-4-6-15-10/h3-7,11H,8H2,1-2H3,(H,16,19)
InChIKeyINBXUZWUYCGCEO-UHFFFAOYSA-N
XLogP1.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
3-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-3-pyridin-2-ylpropanoic acid
CID 155961341
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
CID 122559880
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide (CID 122562645) is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide is COCC(NC(=O)c1nn(C)cc1Cl)c1ccccn1.
What is the InChIKey of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is INBXUZWUYCGCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-18-7-9(14)12(17-18)13(19)16-11(8-20-2)10-5-3-4-6-15-10/h3-7,11H,8H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 122562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).