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

C14H17ClN4O2 — CID 131933604

IUPAC4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-18-8-10(15)13(17-18)14(20)19(2)12(9-21-3)11-6-4-5-7-16-11/h4-8,12H,9H2,1-3H3
InChIKeyAYWCTOKOIQWQOU-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.93
Rot. Bonds5

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

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 131933604) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID131933604
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1nn(C)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-18-8-10(15)13(17-18)14(20)19(2)12(9-21-3)11-6-4-5-7-16-11/h4-8,12H,9H2,1-3H3
InChIKeyAYWCTOKOIQWQOU-UHFFFAOYSA-N
XLogP1.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide (CID 131933604) is 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide is COCC(c1ccccn1)N(C)C(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is AYWCTOKOIQWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-18-8-10(15)13(17-18)14(20)19(2)12(9-21-3)11-6-4-5-7-16-11/h4-8,12H,9H2,1-3H3.
What are the key properties of 4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide?
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 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)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 131933604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).