2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

C14H23ClN4O2 — CID 125175051

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC[C@H]2CO)cc1Cl
InChIInChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyGJVDSQMJLYEBCW-LBPRGKRZSA-N
MW314.82 g/mol
LogP0.81
Rot. Bonds6

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 125175051) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID125175051
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(=O)NCCN2CCCC[C@H]2CO)cc1Cl
InChIInChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyGJVDSQMJLYEBCW-LBPRGKRZSA-N
XLogP0.81
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19521011
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2-(4-chloro-3-methylpyrazol-1-yl)-1-cyclohexylethanone
CID 104751490
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
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CID 154908744
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 110226445
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
CID 19283125
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (CID 125175051) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is Cc1nn(CC(=O)NCCN2CCCC[C@H]2CO)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is GJVDSQMJLYEBCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-11-13(15)8-19(17-11)9-14(21)16-5-7-18-6-3-2-4-12(18)10-20/h8,12,20H,2-7,9-10H2,1H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 314.82 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 125175051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).