N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine

C12H21N3 — CID 82870614

IUPACN-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
SMILESCC(Cc1ccn(C)n1)C(C)NC1CC1
InChIInChI=1S/C12H21N3/c1-9(10(2)13-11-4-5-11)8-12-6-7-15(3)14-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyZFLFUXOZTKYBIZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds5

About N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine

N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine (PubChem CID 82870614) 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)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
PubChem CID82870614
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
SMILESCC(Cc1ccn(C)n1)C(C)NC1CC1
InChIInChI=1S/C12H21N3/c1-9(10(2)13-11-4-5-11)8-12-6-7-15(3)14-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyZFLFUXOZTKYBIZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
2,3-dimethyl-4-(1-methylpyrazol-3-yl)butanoic acid
CID 82882518
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine (CID 82870614) is N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine is CC(Cc1ccn(C)n1)C(C)NC1CC1.
What is the InChIKey of N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine?
The InChIKey is ZFLFUXOZTKYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(10(2)13-11-4-5-11)8-12-6-7-15(3)14-12/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine?
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 5 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)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 82870614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).