N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide

C14H19N5O2 — CID 129355488

IUPACN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C14H19N5O2/c20-14(11-18-6-3-5-15-18)17-12-8-16-19(9-12)10-13-4-1-2-7-21-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,17,20)/t13-/m1/s1
InChIKeyJGGDZPYMVLXTJL-CYBMUJFWSA-N
MW289.34 g/mol
LogP1.29
Rot. Bonds5

About N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide

N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide (PubChem CID 129355488) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
PubChem CID129355488
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C14H19N5O2/c20-14(11-18-6-3-5-15-18)17-12-8-16-19(9-12)10-13-4-1-2-7-21-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,17,20)/t13-/m1/s1
InChIKeyJGGDZPYMVLXTJL-CYBMUJFWSA-N
XLogP1.29
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 119099765
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
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
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide (CID 129355488) is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1cnn(C[C@H]2CCCCO2)c1.
What is the InChIKey of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is JGGDZPYMVLXTJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-14(11-18-6-3-5-15-18)17-12-8-16-19(9-12)10-13-4-1-2-7-21-13/h3,5-6,8-9,13H,1-2,4,7,10-11H2,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 289.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 129355488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).