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

C8H15N3 — CID 43539911

IUPACN-pentan-2-yl-1H-pyrazol-4-amine
SMILESCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyBKPMKOOCBWJGQC-UHFFFAOYSA-N
MW153.23 g/mol
LogP2.01
Rot. Bonds4

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

N-pentan-2-yl-1H-pyrazol-4-amine (PubChem CID 43539911) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-pentan-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-pentan-2-yl-1H-pyrazol-4-amine
PubChem CID43539911
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-pentan-2-yl-1H-pyrazol-4-amine
SMILESCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyBKPMKOOCBWJGQC-UHFFFAOYSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1H-pyrazol-4-amine?
The IUPAC name of N-pentan-2-yl-1H-pyrazol-4-amine (CID 43539911) is N-pentan-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for N-pentan-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for N-pentan-2-yl-1H-pyrazol-4-amine is CCCC(C)Nc1cn[nH]c1.
What is the InChIKey of N-pentan-2-yl-1H-pyrazol-4-amine?
The InChIKey is BKPMKOOCBWJGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-7(2)11-8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-pentan-2-yl-1H-pyrazol-4-amine?
N-pentan-2-yl-1H-pyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 43539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).