4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide

C14H21ClN4O2 — CID 138034696

IUPAC4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C(=O)CNC(=O)c1c(Cl)cnn1C)C1CCCCC1
InChIInChI=1S/C14H21ClN4O2/c1-18(10-6-4-3-5-7-10)12(20)9-16-14(21)13-11(15)8-17-19(13)2/h8,10H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyNRUFHINXUCHWIW-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.59
Rot. Bonds4

About 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 138034696) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide
PubChem CID138034696
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C(=O)CNC(=O)c1c(Cl)cnn1C)C1CCCCC1
InChIInChI=1S/C14H21ClN4O2/c1-18(10-6-4-3-5-7-10)12(20)9-16-14(21)13-11(15)8-17-19(13)2/h8,10H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyNRUFHINXUCHWIW-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.59
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-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide (CID 138034696) is 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide is CN(C(=O)CNC(=O)c1c(Cl)cnn1C)C1CCCCC1.
What is the InChIKey of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NRUFHINXUCHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-18(10-6-4-3-5-7-10)12(20)9-16-14(21)13-11(15)8-17-19(13)2/h8,10H,3-7,9H2,1-2H3,(H,16,21).
What are the key properties of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 138034696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).