(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol

C17H24N4O2 — CID 136857245

IUPAC(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
SMILESCOc1ccc([C@H](O)CNC[C@H]2CNc3cc(C)nn3C2)cc1
InChIInChI=1S/C17H24N4O2/c1-12-7-17-19-9-13(11-21(17)20-12)8-18-10-16(22)14-3-5-15(23-2)6-4-14/h3-7,13,16,18-19,22H,8-11H2,1-2H3/t13-,16+/m0/s1
InChIKeyNKLRKPZKKYCQCS-XJKSGUPXSA-N
MW316.41 g/mol
LogP1.57
Rot. Bonds6

About (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol

(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol (PubChem CID 136857245) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
PubChem CID136857245
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
SMILESCOc1ccc([C@H](O)CNC[C@H]2CNc3cc(C)nn3C2)cc1
InChIInChI=1S/C17H24N4O2/c1-12-7-17-19-9-13(11-21(17)20-12)8-18-10-16(22)14-3-5-15(23-2)6-4-14/h3-7,13,16,18-19,22H,8-11H2,1-2H3/t13-,16+/m0/s1
InChIKeyNKLRKPZKKYCQCS-XJKSGUPXSA-N
XLogP1.57
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857243
(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
CID 136905119
(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905493
(2S)-1-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]-3-[(1R)-1-phenylethoxy]propan-2-ol
CID 136696918
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 136817387
N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
CID 136905240
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 136817395
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136718045
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
(1S)-1-(2,4-dimethoxyphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905494
2-(4,6-dimethylpyrimidin-2-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905595

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol (CID 136857245) is (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol is COc1ccc([C@H](O)CNC[C@H]2CNc3cc(C)nn3C2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol?
The InChIKey is NKLRKPZKKYCQCS-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-7-17-19-9-13(11-21(17)20-12)8-18-10-16(22)14-3-5-15(23-2)6-4-14/h3-7,13,16,18-19,22H,8-11H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol?
(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol has a molecular weight of 316.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol is sourced from PubChem (CID 136857245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).