3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide

C22H24ClN3O2 — CID 45250325

IUPAC3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)CC(c1cccc(O)c1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-20(15(2)25-24-14)13-26(3)22(28)12-19(16-7-6-8-17(27)11-16)18-9-4-5-10-21(18)23/h4-11,19,27H,12-13H2,1-3H3,(H,24,25)
InChIKeyNDPZZVIDTMELMN-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.57
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide

3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide (PubChem CID 45250325) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
PubChem CID45250325
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CN(C)C(=O)CC(c1cccc(O)c1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-20(15(2)25-24-14)13-26(3)22(28)12-19(16-7-6-8-17(27)11-16)18-9-4-5-10-21(18)23/h4-11,19,27H,12-13H2,1-3H3,(H,24,25)
InChIKeyNDPZZVIDTMELMN-UHFFFAOYSA-N
XLogP4.57
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
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(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
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3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
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(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
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CID 110444644
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3-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylbutanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide (CID 45250325) is 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide is Cc1n[nH]c(C)c1CN(C)C(=O)CC(c1cccc(O)c1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is NDPZZVIDTMELMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-14-20(15(2)25-24-14)13-26(3)22(28)12-19(16-7-6-8-17(27)11-16)18-9-4-5-10-21(18)23/h4-11,19,27H,12-13H2,1-3H3,(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide?
3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 397.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 45250325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).