N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide

C16H20N4O2 — CID 119099770

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C16H20N4O2/c21-16(8-13-4-3-6-17-9-13)19-14-10-18-20(11-14)12-15-5-1-2-7-22-15/h3-4,6,9-11,15H,1-2,5,7-8,12H2,(H,19,21)
InChIKeyBQLQEEIXCMXMLM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 119099770) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
PubChem CID119099770
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C16H20N4O2/c21-16(8-13-4-3-6-17-9-13)19-14-10-18-20(11-14)12-15-5-1-2-7-22-15/h3-4,6,9-11,15H,1-2,5,7-8,12H2,(H,19,21)
InChIKeyBQLQEEIXCMXMLM-UHFFFAOYSA-N
XLogP2.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 119099765
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 167784514
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121016982
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129356151
2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide (CID 119099770) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is BQLQEEIXCMXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(8-13-4-3-6-17-9-13)19-14-10-18-20(11-14)12-15-5-1-2-7-22-15/h3-4,6,9-11,15H,1-2,5,7-8,12H2,(H,19,21).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 300.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 119099770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).