N-hexan-2-yl-1H-pyrazol-4-amine

C9H17N3 — CID 43776865

IUPACN-hexan-2-yl-1H-pyrazol-4-amine
SMILESCCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-6-10-11-7-9/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyNOGNSDNKKATOCC-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.40
Rot. Bonds5

About N-hexan-2-yl-1H-pyrazol-4-amine

N-hexan-2-yl-1H-pyrazol-4-amine (PubChem CID 43776865) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-hexan-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-hexan-2-yl-1H-pyrazol-4-amine
PubChem CID43776865
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-hexan-2-yl-1H-pyrazol-4-amine
SMILESCCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-6-10-11-7-9/h6-8,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyNOGNSDNKKATOCC-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-hexan-2-yl-1H-pyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-1H-pyrazol-4-amine?
The IUPAC name of N-hexan-2-yl-1H-pyrazol-4-amine (CID 43776865) is N-hexan-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for N-hexan-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for N-hexan-2-yl-1H-pyrazol-4-amine is CCCCC(C)Nc1cn[nH]c1.
What is the InChIKey of N-hexan-2-yl-1H-pyrazol-4-amine?
The InChIKey is NOGNSDNKKATOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-5-8(2)12-9-6-10-11-7-9/h6-8,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-hexan-2-yl-1H-pyrazol-4-amine?
N-hexan-2-yl-1H-pyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 43776865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).