2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide

C15H18N4O3 — CID 170160025

IUPAC2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccn1
InChIInChI=1S/C15H18N4O3/c1-21-15-8-10(4-5-16-15)7-14(20)17-13-9-11(18-19-13)12-3-2-6-22-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyCUPYFGQRWUIMCQ-LBPRGKRZSA-N
MW302.33 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide

2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide (PubChem CID 170160025) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
PubChem CID170160025
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccn1
InChIInChI=1S/C15H18N4O3/c1-21-15-8-10(4-5-16-15)7-14(20)17-13-9-11(18-19-13)12-3-2-6-22-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyCUPYFGQRWUIMCQ-LBPRGKRZSA-N
XLogP1.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide (CID 170160025) is 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide is COc1cc(CC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is CUPYFGQRWUIMCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-15-8-10(4-5-16-15)7-14(20)17-13-9-11(18-19-13)12-3-2-6-22-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H2,17,18,19,20)/t12-/m0/s1.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide?
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 170160025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).