pyrazol-1-ylmethanamine

C4H7N3 — CID 22639496

IUPACpyrazol-1-ylmethanamine
SMILESNCn1cccn1
InChIInChI=1S/C4H7N3/c5-4-7-3-1-2-6-7/h1-3H,4-5H2
InChIKeyATTROTWEFGEAGE-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.20
Rot. Bonds1

About pyrazol-1-ylmethanamine

pyrazol-1-ylmethanamine (PubChem CID 22639496) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is pyrazol-1-ylmethanamine.

Molecular Properties

Compound Namepyrazol-1-ylmethanamine
PubChem CID22639496
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Namepyrazol-1-ylmethanamine
SMILESNCn1cccn1
InChIInChI=1S/C4H7N3/c5-4-7-3-1-2-6-7/h1-3H,4-5H2
InChIKeyATTROTWEFGEAGE-UHFFFAOYSA-N
XLogP-0.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole-1-carboxamidine monohydrochloride
CID 2734672
Praxadine
CID 2734673
2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Methyl-3-aminopyrazole
CID 137254
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
N'-propylpyrazole-1-carboximidamide;hydrochloride
CID 45264946

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylmethanamine?
The IUPAC name of pyrazol-1-ylmethanamine (CID 22639496) is pyrazol-1-ylmethanamine.
What is the SMILES notation for pyrazol-1-ylmethanamine?
The canonical SMILES for pyrazol-1-ylmethanamine is NCn1cccn1.
What is the InChIKey of pyrazol-1-ylmethanamine?
The InChIKey is ATTROTWEFGEAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-4-7-3-1-2-6-7/h1-3H,4-5H2.
What are the key properties of pyrazol-1-ylmethanamine?
pyrazol-1-ylmethanamine has a molecular weight of 97.12 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylmethanamine is sourced from PubChem (CID 22639496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).