6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine

C13H21N3 — CID 115807334

IUPAC6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2C3CCCC32)cn1
InChIInChI=1S/C13H21N3/c1-2-6-16-8-9(7-15-16)13(14)12-10-4-3-5-11(10)12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyPMAQPEDMURJCIV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine

6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115807334) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
PubChem CID115807334
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2C3CCCC32)cn1
InChIInChI=1S/C13H21N3/c1-2-6-16-8-9(7-15-16)13(14)12-10-4-3-5-11(10)12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyPMAQPEDMURJCIV-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
oxolan-2-yl-(1-propylpyrazol-4-yl)methanamine
CID 65331147
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(1,1-dioxothiolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115336541
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105103598
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571958
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine (CID 115807334) is 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)C2C3CCCC32)cn1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is PMAQPEDMURJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-6-16-8-9(7-15-16)13(14)12-10-4-3-5-11(10)12/h7-8,10-13H,2-6,14H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine?
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115807334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).