(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide

C16H19N3O2 — CID 35277538

IUPAC(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C16H19N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUZLHCUKZQNLQQS-HNNXBMFYSA-N
MW285.35 g/mol
LogP2.36
Rot. Bonds4

About (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide

(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 35277538) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID35277538
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C16H19N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUZLHCUKZQNLQQS-HNNXBMFYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043641
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346302
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide
CID 4863015
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide (CID 35277538) is (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide is Cc1ccccc1Cn1cc(NC(=O)[C@@H]2CCCO2)cn1.
What is the InChIKey of (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is UZLHCUKZQNLQQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 35277538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).