N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine

C15H25N3 — CID 81025720

IUPACN-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
SMILESCn1nccc1C1CCCCCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-18-15(9-10-17-18)14-6-4-2-3-5-12(14)11-16-13-7-8-13/h9-10,12-14,16H,2-8,11H2,1H3
InChIKeyKIBHJFWMOCTZAS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.84
Rot. Bonds4

About N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025720) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81025720
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
SMILESCn1nccc1C1CCCCCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-18-15(9-10-17-18)14-6-4-2-3-5-12(14)11-16-13-7-8-13/h9-10,12-14,16H,2-8,11H2,1H3
InChIKeyKIBHJFWMOCTZAS-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine (CID 81025720) is N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine is Cn1nccc1C1CCCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is KIBHJFWMOCTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18-15(9-10-17-18)14-6-4-2-3-5-12(14)11-16-13-7-8-13/h9-10,12-14,16H,2-8,11H2,1H3.
What are the key properties of N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).