3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C12H23N3 — CID 83930058

IUPAC3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCc1nn(C)c(C)c1C(C)C(C)CCN
InChIInChI=1S/C12H23N3/c1-8(6-7-13)9(2)12-10(3)14-15(5)11(12)4/h8-9H,6-7,13H2,1-5H3
InChIKeyYROWHQGGCSGLPE-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.13
Rot. Bonds4

About 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 83930058) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID83930058
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCc1nn(C)c(C)c1C(C)C(C)CCN
InChIInChI=1S/C12H23N3/c1-8(6-7-13)9(2)12-10(3)14-15(5)11(12)4/h8-9H,6-7,13H2,1-5H3
InChIKeyYROWHQGGCSGLPE-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-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

3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 83930084
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105137835
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
CID 105307847
N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 79647393
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-1-amine
CID 105181482
(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 96859628
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 83930058) is 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is Cc1nn(C)c(C)c1C(C)C(C)CCN.
What is the InChIKey of 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is YROWHQGGCSGLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(6-7-13)9(2)12-10(3)14-15(5)11(12)4/h8-9H,6-7,13H2,1-5H3.
What are the key properties of 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 83930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).