2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol

C13H23N3O2 — CID 113394722

IUPAC2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
SMILESOC(CNC1CCCCCC1O)Cn1cccn1
InChIInChI=1S/C13H23N3O2/c17-11(10-16-8-4-7-15-16)9-14-12-5-2-1-3-6-13(12)18/h4,7-8,11-14,17-18H,1-3,5-6,9-10H2
InChIKeyMBBCMGCYRXGTNP-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.53
Rot. Bonds5

About 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol

2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol (PubChem CID 113394722) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
PubChem CID113394722
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
SMILESOC(CNC1CCCCCC1O)Cn1cccn1
InChIInChI=1S/C13H23N3O2/c17-11(10-16-8-4-7-15-16)9-14-12-5-2-1-3-6-13(12)18/h4,7-8,11-14,17-18H,1-3,5-6,9-10H2
InChIKeyMBBCMGCYRXGTNP-UHFFFAOYSA-N
XLogP0.53
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 64741436
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114123153
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclohexan-1-ol
CID 62360030
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62358751
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 55082435

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol (CID 113394722) is 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol is OC(CNC1CCCCCC1O)Cn1cccn1.
What is the InChIKey of 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol?
The InChIKey is MBBCMGCYRXGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-11(10-16-8-4-7-15-16)9-14-12-5-2-1-3-6-13(12)18/h4,7-8,11-14,17-18H,1-3,5-6,9-10H2.
What are the key properties of 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol?
2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 113394722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).