[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol

C13H22BrN3O — CID 79641286

IUPAC[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H22BrN3O/c1-2-6-15-13(10-18)5-3-4-12(7-13)17-9-11(14)8-16-17/h8-9,12,15,18H,2-7,10H2,1H3
InChIKeyONLUSKCVSMJNTC-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.49
Rot. Bonds5

About [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol

[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79641286) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
PubChem CID79641286
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H22BrN3O/c1-2-6-15-13(10-18)5-3-4-12(7-13)17-9-11(14)8-16-17/h8-9,12,15,18H,2-7,10H2,1H3
InChIKeyONLUSKCVSMJNTC-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-bromopyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640181
3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639796
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
CID 79638462
methyl 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79651817
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
3-(4-bromopyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626047
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641045
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647543
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol (CID 79641286) is [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(n2cc(Br)cn2)C1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is ONLUSKCVSMJNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-2-6-15-13(10-18)5-3-4-12(7-13)17-9-11(14)8-16-17/h8-9,12,15,18H,2-7,10H2,1H3.
What are the key properties of [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 316.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).