N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide

C22H24ClN3O2 — CID 9042472

IUPACN-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCOc1cccc(-n2nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c2C)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-21(11-12-22(27)24-14-17-7-9-18(23)10-8-17)16(2)26(25-15)19-5-4-6-20(13-19)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27)
InChIKeyPTCIFNNNLMQSSN-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.40
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide

N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 9042472) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID9042472
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCOc1cccc(-n2nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c2C)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-21(11-12-22(27)24-14-17-7-9-18(23)10-8-17)16(2)26(25-15)19-5-4-6-20(13-19)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27)
InChIKeyPTCIFNNNLMQSSN-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
N'-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoyl]furan-2-carbohydrazide
CID 9367140
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 17471893
1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]thiourea
CID 9426041
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
CID 9293252
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53069596

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide (CID 9042472) is N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide is COc1cccc(-n2nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c2C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is PTCIFNNNLMQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-21(11-12-22(27)24-14-17-7-9-18(23)10-8-17)16(2)26(25-15)19-5-4-6-20(13-19)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 397.91 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 9042472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).