1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

C13H23N3 — CID 105152911

IUPAC1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCc1nn(C)c(C)c1CCC(N)CC1CC1
InChIInChI=1S/C13H23N3/c1-9-13(10(2)16(3)15-9)7-6-12(14)8-11-4-5-11/h11-12H,4-8,14H2,1-3H3
InChIKeyALYAAWTXBKHYIG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (PubChem CID 105152911) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
PubChem CID105152911
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCc1nn(C)c(C)c1CCC(N)CC1CC1
InChIInChI=1S/C13H23N3/c1-9-13(10(2)16(3)15-9)7-6-12(14)8-11-4-5-11/h11-12H,4-8,14H2,1-3H3
InChIKeyALYAAWTXBKHYIG-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine 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

7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155962
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105104488
1-(4-methyl-1,3-thiazol-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105171577
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (CID 105152911) is 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is Cc1nn(C)c(C)c1CCC(N)CC1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is ALYAAWTXBKHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-13(10(2)16(3)15-9)7-6-12(14)8-11-4-5-11/h11-12H,4-8,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 105152911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).