N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine

C15H20N4O — CID 126430312

IUPACN,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cn1
InChIInChI=1S/C15H20N4O/c1-18(2)14-7-6-12(9-16-14)13-10-17-19(11-13)15-5-3-4-8-20-15/h6-7,9-11,15H,3-5,8H2,1-2H3/t15-/m0/s1
InChIKeyQBNDGLPRKZFIQD-HNNXBMFYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds3

About N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine

N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 126430312) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
PubChem CID126430312
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cn1
InChIInChI=1S/C15H20N4O/c1-18(2)14-7-6-12(9-16-14)13-10-17-19(11-13)15-5-3-4-8-20-15/h6-7,9-11,15H,3-5,8H2,1-2H3/t15-/m0/s1
InChIKeyQBNDGLPRKZFIQD-HNNXBMFYSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
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
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
N-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156756104
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
5-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535431
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
CID 138040986

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine (CID 126430312) is N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine is CN(C)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cn1.
What is the InChIKey of N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is QBNDGLPRKZFIQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)14-7-6-12(9-16-14)13-10-17-19(11-13)15-5-3-4-8-20-15/h6-7,9-11,15H,3-5,8H2,1-2H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine?
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 126430312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).