N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine

C12H21N3 — CID 82882697

IUPACN-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)Cc1ccn(C)n1
InChIInChI=1S/C12H21N3/c1-10(5-7-13-11-3-4-11)9-12-6-8-15(2)14-12/h6,8,10-11,13H,3-5,7,9H2,1-2H3
InChIKeyIRENKRQHAMMOFT-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds6

About N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine

N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine (PubChem CID 82882697) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
PubChem CID82882697
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)Cc1ccn(C)n1
InChIInChI=1S/C12H21N3/c1-10(5-7-13-11-3-4-11)9-12-6-8-15(2)14-12/h6,8,10-11,13H,3-5,7,9H2,1-2H3
InChIKeyIRENKRQHAMMOFT-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
CID 81018955
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine (CID 82882697) is N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine is CC(CCNC1CC1)Cc1ccn(C)n1.
What is the InChIKey of N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine?
The InChIKey is IRENKRQHAMMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(5-7-13-11-3-4-11)9-12-6-8-15(2)14-12/h6,8,10-11,13H,3-5,7,9H2,1-2H3.
What are the key properties of N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine?
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 82882697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).