4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

C14H16ClN3O2 — CID 891955

IUPAC4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(C)cc2Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-18-9-12(15)13(17-18)14(19)16-8-7-10-3-5-11(20-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyNMNALDDQRMQOHO-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.05
Rot. Bonds5

About 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 891955) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID891955
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nn(C)cc2Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-18-9-12(15)13(17-18)14(19)16-8-7-10-3-5-11(20-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyNMNALDDQRMQOHO-UHFFFAOYSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (CID 891955) is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is COc1ccc(CCNC(=O)c2nn(C)cc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NMNALDDQRMQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-9-12(15)13(17-18)14(19)16-8-7-10-3-5-11(20-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 891955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).