N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide

C15H18ClN3O2 — CID 111450825

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC(O)c2ccccc2Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-19-10-11(8-18-19)6-7-15(21)17-9-14(20)12-4-2-3-5-13(12)16/h2-5,8,10,14,20H,6-7,9H2,1H3,(H,17,21)
InChIKeyBXTOBBVAPJQTML-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 111450825) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID111450825
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC(O)c2ccccc2Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-19-10-11(8-18-19)6-7-15(21)17-9-14(20)12-4-2-3-5-13(12)16/h2-5,8,10,14,20H,6-7,9H2,1H3,(H,17,21)
InChIKeyBXTOBBVAPJQTML-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 112844509
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 111450825) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCC(O)c2ccccc2Cl)cn1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is BXTOBBVAPJQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19-10-11(8-18-19)6-7-15(21)17-9-14(20)12-4-2-3-5-13(12)16/h2-5,8,10,14,20H,6-7,9H2,1H3,(H,17,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 111450825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).