(1-methylpyrazol-3-yl)methanamine;hydrochloride

C5H10ClN3 — CID 20850074

IUPAC(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CN)n1
InChIInChI=1S/C5H9N3.ClH/c1-8-3-2-5(4-6)7-8;/h2-3H,4,6H2,1H3;1H
InChIKeyNDQKVPYUNYWHRS-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.30
Rot. Bonds1

About (1-methylpyrazol-3-yl)methanamine;hydrochloride

(1-methylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 20850074) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID20850074
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CN)n1
InChIInChI=1S/C5H9N3.ClH/c1-8-3-2-5(4-6)7-8;/h2-3H,4,6H2,1H3;1H
InChIKeyNDQKVPYUNYWHRS-UHFFFAOYSA-N
XLogP0.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-methylpyrazol-3-yl)methanamine;hydrochloride (CID 20850074) is (1-methylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methylpyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1ccc(CN)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is NDQKVPYUNYWHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-8-3-2-5(4-6)7-8;/h2-3H,4,6H2,1H3;1H.
What are the key properties of (1-methylpyrazol-3-yl)methanamine;hydrochloride?
(1-methylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 20850074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).