5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine

C12H14N4O — CID 126433846

IUPAC5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
SMILESc1ncc(-c2cnn([C@@H]3CCCCO3)c2)cn1
InChIInChI=1S/C12H14N4O/c1-2-4-17-12(3-1)16-8-11(7-15-16)10-5-13-9-14-6-10/h5-9,12H,1-4H2/t12-/m0/s1
InChIKeyWODIMDHMWPQEKM-LBPRGKRZSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds2

About 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine

5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine (PubChem CID 126433846) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
PubChem CID126433846
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
SMILESc1ncc(-c2cnn([C@@H]3CCCCO3)c2)cn1
InChIInChI=1S/C12H14N4O/c1-2-4-17-12(3-1)16-8-11(7-15-16)10-5-13-9-14-6-10/h5-9,12H,1-4H2/t12-/m0/s1
InChIKeyWODIMDHMWPQEKM-LBPRGKRZSA-N
XLogP2.04
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine?
The IUPAC name of 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine (CID 126433846) is 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine?
The canonical SMILES for 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine is c1ncc(-c2cnn([C@@H]3CCCCO3)c2)cn1.
What is the InChIKey of 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine?
The InChIKey is WODIMDHMWPQEKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-4-17-12(3-1)16-8-11(7-15-16)10-5-13-9-14-6-10/h5-9,12H,1-4H2/t12-/m0/s1.
What are the key properties of 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine?
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine has a molecular weight of 230.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 126433846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).