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

C22H24ClN3O — CID 55707001

IUPAC3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O/c1-16-15-17(2)26(25-16)20-10-7-18(8-11-20)13-14-24-22(27)12-9-19-5-3-4-6-21(19)23/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,24,27)
InChIKeyQNLMQHDHEZSWHJ-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.43
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 55707001) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
PubChem CID55707001
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O/c1-16-15-17(2)26(25-16)20-10-7-18(8-11-20)13-14-24-22(27)12-9-19-5-3-4-6-21(19)23/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,24,27)
InChIKeyQNLMQHDHEZSWHJ-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55707004
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55707299
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
CID 94641301
3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (CID 55707001) is 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is Cc1cc(C)n(-c2ccc(CCNC(=O)CCc3ccccc3Cl)cc2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is QNLMQHDHEZSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-16-15-17(2)26(25-16)20-10-7-18(8-11-20)13-14-24-22(27)12-9-19-5-3-4-6-21(19)23/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 381.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55707001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).