5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine

C19H20N4O — CID 29107228

IUPAC5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESc1cc(-c2cncnc2)cc(-c2ccn(C[C@H]3CCCCO3)n2)c1
InChIInChI=1S/C19H20N4O/c1-2-9-24-18(6-1)13-23-8-7-19(22-23)16-5-3-4-15(10-16)17-11-20-14-21-12-17/h3-5,7-8,10-12,14,18H,1-2,6,9,13H2/t18-/m1/s1
InChIKeyHLAREPASHIVRAS-GOSISDBHSA-N
MW320.40 g/mol
LogP3.58
Rot. Bonds4

About 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine

5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine (PubChem CID 29107228) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
PubChem CID29107228
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESc1cc(-c2cncnc2)cc(-c2ccn(C[C@H]3CCCCO3)n2)c1
InChIInChI=1S/C19H20N4O/c1-2-9-24-18(6-1)13-23-8-7-19(22-23)16-5-3-4-15(10-16)17-11-20-14-21-12-17/h3-5,7-8,10-12,14,18H,1-2,6,9,13H2/t18-/m1/s1
InChIKeyHLAREPASHIVRAS-GOSISDBHSA-N
XLogP3.58
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 125168426
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
CID 28734619
5-[3-[1-(2-ethylsulfanylethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 56853431
2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]quinoxaline
CID 45190541
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448
4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 26278609
N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26357610
4-(3-fluoro-4-methylphenyl)-1-(oxan-2-ylmethyl)pyrazole
CID 155276041

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine?
The IUPAC name of 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine (CID 29107228) is 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine.
What is the SMILES notation for 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine?
The canonical SMILES for 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine is c1cc(-c2cncnc2)cc(-c2ccn(C[C@H]3CCCCO3)n2)c1.
What is the InChIKey of 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine?
The InChIKey is HLAREPASHIVRAS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-9-24-18(6-1)13-23-8-7-19(22-23)16-5-3-4-15(10-16)17-11-20-14-21-12-17/h3-5,7-8,10-12,14,18H,1-2,6,9,13H2/t18-/m1/s1.
What are the key properties of 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine?
5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine is sourced from PubChem (CID 29107228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).