N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

C17H21ClN4O2 — CID 99953823

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,9,15,23H,1-2,7-8,10-11H2,(H,19,24)(H,20,21)/t15-/m0/s1
InChIKeyQPTSFGCUGLEHPQ-HNNXBMFYSA-N
MW348.83 g/mol
LogP1.80
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 99953823) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
PubChem CID99953823
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,9,15,23H,1-2,7-8,10-11H2,(H,19,24)(H,20,21)/t15-/m0/s1
InChIKeyQPTSFGCUGLEHPQ-HNNXBMFYSA-N
XLogP1.80
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4-acetyl-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-6-hydroxy-1,4-diazepane-1-carboxamide
CID 126450778
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylazepane-2-carboxamide
CID 72919277
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 134127827
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 56827879
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
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N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 124504969
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (CID 99953823) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is O=C(CN1CCC[C@H](O)C1)NCc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is QPTSFGCUGLEHPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,9,15,23H,1-2,7-8,10-11H2,(H,19,24)(H,20,21)/t15-/m0/s1.
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 99953823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).