N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide

C16H20ClN3O2 — CID 97116423

IUPACN-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC[C@H](O)c2ccccc2Cl)c1C
InChIInChI=1S/C16H20ClN3O2/c1-3-8-20-11(2)13(9-19-20)16(22)18-10-15(21)12-6-4-5-7-14(12)17/h4-7,9,15,21H,3,8,10H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyFVTOIEFNNLAXRL-HNNXBMFYSA-N
MW321.81 g/mol
LogP2.72
Rot. Bonds6

About N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 97116423) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID97116423
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC[C@H](O)c2ccccc2Cl)c1C
InChIInChI=1S/C16H20ClN3O2/c1-3-8-20-11(2)13(9-19-20)16(22)18-10-15(21)12-6-4-5-7-14(12)17/h4-7,9,15,21H,3,8,10H2,1-2H3,(H,18,22)/t15-/m0/s1
InChIKeyFVTOIEFNNLAXRL-HNNXBMFYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[3-amino-2-[(2-chlorophenyl)methyl]-3-oxopropyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 166198105
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
CID 111451178
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 111451138

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 97116423) is N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC[C@H](O)c2ccccc2Cl)c1C.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is FVTOIEFNNLAXRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-8-20-11(2)13(9-19-20)16(22)18-10-15(21)12-6-4-5-7-14(12)17/h4-7,9,15,21H,3,8,10H2,1-2H3,(H,18,22)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 321.81 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-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 97116423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).