1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol

C15H27N3O — CID 95614017

IUPAC1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1cnn([C@@H](C)[C@H](C)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H27N3O/c1-12-9-17-18(10-12)14(3)13(2)16-11-15(19)7-5-4-6-8-15/h9-10,13-14,16,19H,4-8,11H2,1-3H3/t13-,14-/m0/s1
InChIKeyRTDULAJYQMQUGR-KBPBESRZSA-N
MW265.40 g/mol
LogP2.43
Rot. Bonds5

About 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 95614017) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID95614017
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCc1cnn([C@@H](C)[C@H](C)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H27N3O/c1-12-9-17-18(10-12)14(3)13(2)16-11-15(19)7-5-4-6-8-15/h9-10,13-14,16,19H,4-8,11H2,1-3H3/t13-,14-/m0/s1
InChIKeyRTDULAJYQMQUGR-KBPBESRZSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
(2R,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291818
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 95304965
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 95290323
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95614058
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 95295298

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol (CID 95614017) is 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol is Cc1cnn([C@@H](C)[C@H](C)NCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RTDULAJYQMQUGR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-9-17-18(10-12)14(3)13(2)16-11-15(19)7-5-4-6-8-15/h9-10,13-14,16,19H,4-8,11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95614017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).