(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide

C16H19N3O2 — CID 35855214

IUPAC(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCO1
InChIInChI=1S/C16H19N3O2/c20-16(15-7-3-10-21-15)17-11-13-5-1-2-6-14(13)12-19-9-4-8-18-19/h1-2,4-6,8-9,15H,3,7,10-12H2,(H,17,20)/t15-/m0/s1
InChIKeyVMJPKBDLQWWTKN-HNNXBMFYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds5

About (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide

(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 35855214) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID35855214
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCO1
InChIInChI=1S/C16H19N3O2/c20-16(15-7-3-10-21-15)17-11-13-5-1-2-6-14(13)12-19-9-4-8-18-19/h1-2,4-6,8-9,15H,3,7,10-12H2,(H,17,20)/t15-/m0/s1
InChIKeyVMJPKBDLQWWTKN-HNNXBMFYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
2-methyl-1-(oxolan-2-ylmethyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111138980
1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 51305841
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 155505277
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
(3R,6S)-6-amino-1-(oxan-4-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azepane-3-carboxamide
CID 165423026
(9S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125169365
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide
CID 103110226

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide (CID 35855214) is (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide is O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is VMJPKBDLQWWTKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(15-7-3-10-21-15)17-11-13-5-1-2-6-14(13)12-19-9-4-8-18-19/h1-2,4-6,8-9,15H,3,7,10-12H2,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide?
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 35855214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).