1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

C16H27N3 — CID 103030501

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)C1CC2CC2C1
InChIInChI=1S/C16H27N3/c1-3-7-17-16(14-10-12-9-13(12)11-14)5-4-15-6-8-18-19(15)2/h6,8,12-14,16-17H,3-5,7,9-11H2,1-2H3
InChIKeyZCHRGTCJORBFMG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.77
Rot. Bonds7

About 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 103030501) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID103030501
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)C1CC2CC2C1
InChIInChI=1S/C16H27N3/c1-3-7-17-16(14-10-12-9-13(12)11-14)5-4-15-6-8-18-19(15)2/h6,8,12-14,16-17H,3-5,7,9-11H2,1-2H3
InChIKeyZCHRGTCJORBFMG-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
CID 103011691
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027039
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 103030501) is 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccnn1C)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is ZCHRGTCJORBFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-7-17-16(14-10-12-9-13(12)11-14)5-4-15-6-8-18-19(15)2/h6,8,12-14,16-17H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).