N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide

C16H20ClN3O2 — CID 138035834

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(C)C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-3-10-20-14(8-9-18-20)16(22)19(2)15(11-21)12-4-6-13(17)7-5-12/h4-9,15,21H,3,10-11H2,1-2H3
InChIKeyQXEONFIAWRQSIX-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.75
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide (PubChem CID 138035834) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide
PubChem CID138035834
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(C)C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-3-10-20-14(8-9-18-20)16(22)19(2)15(11-21)12-4-6-13(17)7-5-12/h4-9,15,21H,3,10-11H2,1-2H3
InChIKeyQXEONFIAWRQSIX-UHFFFAOYSA-N
XLogP2.75
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid
CID 146585189
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
CID 136827782
N-(1-hydroxybutan-2-yl)-2-propyl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide
CID 50973233
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
CID 35533409
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide (CID 138035834) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N(C)C(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The InChIKey is QXEONFIAWRQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-10-20-14(8-9-18-20)16(22)19(2)15(11-21)12-4-6-13(17)7-5-12/h4-9,15,21H,3,10-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-N-methyl-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 138035834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).