N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H24ClN3O2 — CID 110004546

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O2/c1-11(9-16-12(2)21-22(4)13(16)3)18(24)20-17(10-23)14-5-7-15(19)8-6-14/h5-8,11,17,23H,9-10H2,1-4H3,(H,20,24)
InChIKeyVWGOIZMXIDQKKC-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.72
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 110004546) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID110004546
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O2/c1-11(9-16-12(2)21-22(4)13(16)3)18(24)20-17(10-23)14-5-7-15(19)8-6-14/h5-8,11,17,23H,9-10H2,1-4H3,(H,20,24)
InChIKeyVWGOIZMXIDQKKC-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777525
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[1-(4-ethylphenyl)-2-hydroxyethyl]acetamide
CID 110028247
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583
4-[[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid
CID 119165575
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110004631
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 110004546) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CC(C)C(=O)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is VWGOIZMXIDQKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-11(9-16-12(2)21-22(4)13(16)3)18(24)20-17(10-23)14-5-7-15(19)8-6-14/h5-8,11,17,23H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 349.86 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 110004546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).