2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide

C15H22ClN5O — CID 118788357

IUPAC2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
SMILESCCc1c(C)nn(CCNC(=O)C(C)n2cc(Cl)cn2)c1C
InChIInChI=1S/C15H22ClN5O/c1-5-14-10(2)19-20(11(14)3)7-6-17-15(22)12(4)21-9-13(16)8-18-21/h8-9,12H,5-7H2,1-4H3,(H,17,22)
InChIKeyBYUVDINHKJRXEF-UHFFFAOYSA-N
MW323.83 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide

2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide (PubChem CID 118788357) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
PubChem CID118788357
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
SMILESCCc1c(C)nn(CCNC(=O)C(C)n2cc(Cl)cn2)c1C
InChIInChI=1S/C15H22ClN5O/c1-5-14-10(2)19-20(11(14)3)7-6-17-15(22)12(4)21-9-13(16)8-18-21/h8-9,12H,5-7H2,1-4H3,(H,17,22)
InChIKeyBYUVDINHKJRXEF-UHFFFAOYSA-N
XLogP2.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
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N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide
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(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51853176

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide (CID 118788357) is 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide is CCc1c(C)nn(CCNC(=O)C(C)n2cc(Cl)cn2)c1C.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is BYUVDINHKJRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-5-14-10(2)19-20(11(14)3)7-6-17-15(22)12(4)21-9-13(16)8-18-21/h8-9,12H,5-7H2,1-4H3,(H,17,22).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 323.83 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 118788357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).