N-(1H-pyrazol-4-ylmethyl)propan-1-amine

C7H13N3 — CID 61000736

IUPACN-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCCNCc1cn[nH]c1
InChIInChI=1S/C7H13N3/c1-2-3-8-4-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyRFVVNPLKWMQSMP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.91
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)propan-1-amine

N-(1H-pyrazol-4-ylmethyl)propan-1-amine (PubChem CID 61000736) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)propan-1-amine
PubChem CID61000736
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCCNCc1cn[nH]c1
InChIInChI=1S/C7H13N3/c1-2-3-8-4-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyRFVVNPLKWMQSMP-UHFFFAOYSA-N
XLogP0.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.91
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-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)propan-1-amine (CID 61000736) is N-(1H-pyrazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)propan-1-amine is CCCNCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The InChIKey is RFVVNPLKWMQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-8-4-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
N-(1H-pyrazol-4-ylmethyl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 61000736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).