1H-pyrazol-4-ylmethanamine

C4H7N3 — CID 23005583

IUPAC1H-pyrazol-4-ylmethanamine
SMILESNCc1cn[nH]c1
InChIInChI=1S/C4H7N3/c5-1-4-2-6-7-3-4/h2-3H,1,5H2,(H,6,7)
InChIKeyLIDZELUIEIAIDJ-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.13
Rot. Bonds1

About 1H-pyrazol-4-ylmethanamine

1H-pyrazol-4-ylmethanamine (PubChem CID 23005583) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1H-pyrazol-4-ylmethanamine.

Molecular Properties

Compound Name1H-pyrazol-4-ylmethanamine
PubChem CID23005583
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1H-pyrazol-4-ylmethanamine
SMILESNCc1cn[nH]c1
InChIInChI=1S/C4H7N3/c5-1-4-2-6-7-3-4/h2-3H,1,5H2,(H,6,7)
InChIKeyLIDZELUIEIAIDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpyrazole
CID 3406
4-Bromopyrazole
CID 16375
1H-Pyrazole, 4-chloro-
CID 27524
4-Iodopyrazole
CID 77022
4-Methylpyrazole hydrochloride
CID 11957593
4-fluoro-1H-pyrazole
CID 141992
1H-Pyrazole-4-carbonitrile
CID 564449
4-Ethynyl-1H-pyrazole
CID 14041597
3-Bromo-4-methyl-1H-pyrazole
CID 21680102
4-(beta-Aminoethyl)pyrazole
CID 151416
4-Methyl-1H-pyrazol-3-amine
CID 12383043
4-(Aminomethyl)-1-hydroxypyrazole
CID 71582755

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylmethanamine?
The IUPAC name of 1H-pyrazol-4-ylmethanamine (CID 23005583) is 1H-pyrazol-4-ylmethanamine.
What is the SMILES notation for 1H-pyrazol-4-ylmethanamine?
The canonical SMILES for 1H-pyrazol-4-ylmethanamine is NCc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylmethanamine?
The InChIKey is LIDZELUIEIAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-1-4-2-6-7-3-4/h2-3H,1,5H2,(H,6,7).
What are the key properties of 1H-pyrazol-4-ylmethanamine?
1H-pyrazol-4-ylmethanamine has a molecular weight of 97.12 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylmethanamine is sourced from PubChem (CID 23005583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).