1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine

C17H31N3S — CID 65127665

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSCC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3S/c1-3-11-18-16(14-21-4-2)13-15-10-12-20(19-15)17-8-6-5-7-9-17/h10,12,16-18H,3-9,11,13-14H2,1-2H3
InChIKeyOXDMZOZCXDAIKS-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.05
Rot. Bonds9

About 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine (PubChem CID 65127665) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
PubChem CID65127665
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSCC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H31N3S/c1-3-11-18-16(14-21-4-2)13-15-10-12-20(19-15)17-8-6-5-7-9-17/h10,12,16-18H,3-9,11,13-14H2,1-2H3
InChIKeyOXDMZOZCXDAIKS-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine (CID 65127665) is 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine is CCCNC(CSCC)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine?
The InChIKey is OXDMZOZCXDAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-3-11-18-16(14-21-4-2)13-15-10-12-20(19-15)17-8-6-5-7-9-17/h10,12,16-18H,3-9,11,13-14H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 65127665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).