N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide

C17H21N3O2 — CID 138048170

IUPACN-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
SMILESO=C(C[C@@H]1CCC[C@H]1O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c21-16-8-4-7-14(16)9-17(22)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,16,21H,4,7-9,11H2,(H,19,22)/t14-,16+/m0/s1
InChIKeyNNMPQGUQQSYGFC-GOEBONIOSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide

N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide (PubChem CID 138048170) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
PubChem CID138048170
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
SMILESO=C(C[C@@H]1CCC[C@H]1O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c21-16-8-4-7-14(16)9-17(22)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,16,21H,4,7-9,11H2,(H,19,22)/t14-,16+/m0/s1
InChIKeyNNMPQGUQQSYGFC-GOEBONIOSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
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CID 19397538
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CID 119937384
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
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CID 119740026
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CID 35531704

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide (CID 138048170) is N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide is O=C(C[C@@H]1CCC[C@H]1O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide?
The InChIKey is NNMPQGUQQSYGFC-GOEBONIOSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-8-4-7-14(16)9-17(22)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,16,21H,4,7-9,11H2,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide?
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide is sourced from PubChem (CID 138048170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).