(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol

C17H23N3O2 — CID 110146338

IUPAC(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol
SMILESCN(Cc1ccn[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-20(12-13-10-11-18-19-13)15-8-5-9-16(17(15)21)22-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-17,21H,5,8-9,12H2,1H3,(H,18,19)/t15-,16+,17+/m1/s1
InChIKeyOTAJTEFQLLZVCV-IKGGRYGDSA-N
MW301.39 g/mol
LogP2.20
Rot. Bonds5

About (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol

(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol (PubChem CID 110146338) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol
PubChem CID110146338
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol
SMILESCN(Cc1ccn[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-20(12-13-10-11-18-19-13)15-8-5-9-16(17(15)21)22-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-17,21H,5,8-9,12H2,1H3,(H,18,19)/t15-,16+,17+/m1/s1
InChIKeyOTAJTEFQLLZVCV-IKGGRYGDSA-N
XLogP2.20
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol with MolForge

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Related Compounds

(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
CID 110146419
(1S,2S,6R)-2-(3-fluorophenoxy)-6-[1H-imidazol-5-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 110146318
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
CID 67880117
(1S,2R,5S)-2-[methyl-[(3-methylimidazol-4-yl)methyl]amino]-5-phenoxycyclopentan-1-ol
CID 110146435
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110125792
N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine
CID 172858580
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
2-phenoxycyclooctan-1-ol
CID 22247671
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol?
The IUPAC name of (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol (CID 110146338) is (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol?
The canonical SMILES for (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol is CN(Cc1ccn[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O.
What is the InChIKey of (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol?
The InChIKey is OTAJTEFQLLZVCV-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(12-13-10-11-18-19-13)15-8-5-9-16(17(15)21)22-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-17,21H,5,8-9,12H2,1H3,(H,18,19)/t15-,16+,17+/m1/s1.
What are the key properties of (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol?
(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol is sourced from PubChem (CID 110146338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).