N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C8H15N3 — CID 43663421

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1C
InChIInChI=1S/C8H15N3/c1-3-4-9-5-8-6-10-11-7(8)2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeySWZOBHKUVHCFLH-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.22
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43663421) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43663421
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1C
InChIInChI=1S/C8H15N3/c1-3-4-9-5-8-6-10-11-7(8)2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeySWZOBHKUVHCFLH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43663421) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is CCCNCc1cn[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is SWZOBHKUVHCFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-9-5-8-6-10-11-7(8)2/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43663421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).