5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine

C12H23N3 — CID 165499002

IUPAC5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1C(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-9(4)11-10(8(2)3)12(13)15-14-11/h8-9H,5-7H2,1-4H3,(H3,13,14,15)
InChIKeyJQYJSSKAACFJMO-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.41
Rot. Bonds5

About 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine

5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 165499002) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine
PubChem CID165499002
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1C(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-9(4)11-10(8(2)3)12(13)15-14-11/h8-9H,5-7H2,1-4H3,(H3,13,14,15)
InChIKeyJQYJSSKAACFJMO-UHFFFAOYSA-N
XLogP3.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-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

4-fluoro-5-hexan-2-yl-1H-pyrazol-3-amine
CID 165492417
5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
CID 114246456
5-butan-2-yl-4-propyl-1H-pyrazol-3-amine
CID 79405920
3-hexan-2-yl-1H-indol-2-amine
CID 151629359
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 15187834
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950
5-pentyl-4-propyl-1H-pyrazol-3-amine
CID 79405601
4-(3-bromophenyl)-5-pentan-2-yl-1H-pyrazol-3-amine
CID 43560970
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
CID 135491160

Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine (CID 165499002) is 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine is CCCCC(C)c1[nH]nc(N)c1C(C)C.
What is the InChIKey of 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is JQYJSSKAACFJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-7-9(4)11-10(8(2)3)12(13)15-14-11/h8-9H,5-7H2,1-4H3,(H3,13,14,15).
What are the key properties of 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine?
5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-2-yl-4-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 165499002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).