1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

C16H27N3O — CID 95345806

IUPAC1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cnn(C[C@@H]2CCCN2CC2(O)CCCCC2)c1
InChIInChI=1S/C16H27N3O/c1-14-10-17-19(11-14)12-15-6-5-9-18(15)13-16(20)7-3-2-4-8-16/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m0/s1
InChIKeyMKUSVGOUOATLJF-HNNXBMFYSA-N
MW277.41 g/mol
LogP2.35
Rot. Bonds4

About 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol

1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95345806) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95345806
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cnn(C[C@@H]2CCCN2CC2(O)CCCCC2)c1
InChIInChI=1S/C16H27N3O/c1-14-10-17-19(11-14)12-15-6-5-9-18(15)13-16(20)7-3-2-4-8-16/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m0/s1
InChIKeyMKUSVGOUOATLJF-HNNXBMFYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 56780851
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779437
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610418
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95353468
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 129448722
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56780518
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 95345806) is 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is Cc1cnn(C[C@@H]2CCCN2CC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is MKUSVGOUOATLJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-10-17-19(11-14)12-15-6-5-9-18(15)13-16(20)7-3-2-4-8-16/h10-11,15,20H,2-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95345806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).