N-pentyl-1H-pyrazol-4-amine

C8H15N3 — CID 43539843

IUPACN-pentyl-1H-pyrazol-4-amine
SMILESCCCCCNc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-2-3-4-5-9-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyTWYGPVYSDJENSU-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.01
Rot. Bonds5

About N-pentyl-1H-pyrazol-4-amine

N-pentyl-1H-pyrazol-4-amine (PubChem CID 43539843) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-pentyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-pentyl-1H-pyrazol-4-amine
PubChem CID43539843
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-pentyl-1H-pyrazol-4-amine
SMILESCCCCCNc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-2-3-4-5-9-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyTWYGPVYSDJENSU-UHFFFAOYSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1H-pyrazol-4-amine?
The IUPAC name of N-pentyl-1H-pyrazol-4-amine (CID 43539843) is N-pentyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-pentyl-1H-pyrazol-4-amine?
The canonical SMILES for N-pentyl-1H-pyrazol-4-amine is CCCCCNc1cn[nH]c1.
What is the InChIKey of N-pentyl-1H-pyrazol-4-amine?
The InChIKey is TWYGPVYSDJENSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-5-9-8-6-10-11-7-8/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of N-pentyl-1H-pyrazol-4-amine?
N-pentyl-1H-pyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43539843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).