4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine

C7H15N3 — CID 90688119

IUPAC4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine
SMILESNCCCCC1CN=NC1
InChIInChI=1S/C7H15N3/c8-4-2-1-3-7-5-9-10-6-7/h7H,1-6,8H2
InChIKeyQHJIXWMIAOCDCY-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.20
Rot. Bonds4

About 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine

4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine (PubChem CID 90688119) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine
PubChem CID90688119
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine
SMILESNCCCCC1CN=NC1
InChIInChI=1S/C7H15N3/c8-4-2-1-3-7-5-9-10-6-7/h7H,1-6,8H2
InChIKeyQHJIXWMIAOCDCY-UHFFFAOYSA-N
XLogP1.20
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dithiolan-4-yl)butan-1-amine
CID 155230092
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
6-cyclohexylhexan-1-amine
CID 19875455
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
3-(4-fluorocyclohexyl)propan-1-amine
CID 84731480
5-[2-(5-aminopentyl)cyclopropyl]pentan-1-amine
CID 58260208
ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
CID 145006733
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
butane-1,4-diamine;europium
CID 90401592
octatriacontane-1,38-diamine
CID 54235792
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine?
The IUPAC name of 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine (CID 90688119) is 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine?
The canonical SMILES for 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine is NCCCCC1CN=NC1.
What is the InChIKey of 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine?
The InChIKey is QHJIXWMIAOCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c8-4-2-1-3-7-5-9-10-6-7/h7H,1-6,8H2.
What are the key properties of 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine?
4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine has a molecular weight of 141.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 90688119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).