N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine

C12H19N3 — CID 81004642

IUPACN-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1cnn(C2CCC2CNC2CC2)c1
InChIInChI=1S/C12H19N3/c1-9-6-14-15(8-9)12-5-2-10(12)7-13-11-3-4-11/h6,8,10-13H,2-5,7H2,1H3
InChIKeyFVRMNVFXCHQSIR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds4

About N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81004642) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81004642
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1cnn(C2CCC2CNC2CC2)c1
InChIInChI=1S/C12H19N3/c1-9-6-14-15(8-9)12-5-2-10(12)7-13-11-3-4-11/h6,8,10-13H,2-5,7H2,1H3
InChIKeyFVRMNVFXCHQSIR-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 81004642) is N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine is Cc1cnn(C2CCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is FVRMNVFXCHQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-6-14-15(8-9)12-5-2-10(12)7-13-11-3-4-11/h6,8,10-13H,2-5,7H2,1H3.
What are the key properties of N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81004642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).