N-propyl-1H-pyrazol-5-amine

C6H11N3 — CID 57098922

IUPACN-propyl-1H-pyrazol-5-amine
SMILESCCCNc1ccn[nH]1
InChIInChI=1S/C6H11N3/c1-2-4-7-6-3-5-8-9-6/h3,5H,2,4H2,1H3,(H2,7,8,9)
InChIKeyKBUPWXPAEQCFBH-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds3

About N-propyl-1H-pyrazol-5-amine

N-propyl-1H-pyrazol-5-amine (PubChem CID 57098922) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-propyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-propyl-1H-pyrazol-5-amine
PubChem CID57098922
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-propyl-1H-pyrazol-5-amine
SMILESCCCNc1ccn[nH]1
InChIInChI=1S/C6H11N3/c1-2-4-7-6-3-5-8-9-6/h3,5H,2,4H2,1H3,(H2,7,8,9)
InChIKeyKBUPWXPAEQCFBH-UHFFFAOYSA-N
XLogP1.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-propyl-1H-pyrazol-5-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-propyl-1H-pyrazol-5-amine?
The IUPAC name of N-propyl-1H-pyrazol-5-amine (CID 57098922) is N-propyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-propyl-1H-pyrazol-5-amine?
The canonical SMILES for N-propyl-1H-pyrazol-5-amine is CCCNc1ccn[nH]1.
What is the InChIKey of N-propyl-1H-pyrazol-5-amine?
The InChIKey is KBUPWXPAEQCFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-4-7-6-3-5-8-9-6/h3,5H,2,4H2,1H3,(H2,7,8,9).
What are the key properties of N-propyl-1H-pyrazol-5-amine?
N-propyl-1H-pyrazol-5-amine has a molecular weight of 125.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1H-pyrazol-5-amine is sourced from PubChem (CID 57098922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).