(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride

C5H9Cl2N3 — CID 44630896

IUPAC(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1CN
InChIInChI=1S/C5H8ClN3.ClH/c1-9-5(2-7)4(6)3-8-9;/h3H,2,7H2,1H3;1H
InChIKeyYVZSEMRWKIEXEX-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.95
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride

(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride (PubChem CID 44630896) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride
PubChem CID44630896
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1CN
InChIInChI=1S/C5H8ClN3.ClH/c1-9-5(2-7)4(6)3-8-9;/h3H,2,7H2,1H3;1H
InChIKeyYVZSEMRWKIEXEX-UHFFFAOYSA-N
XLogP0.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride (CID 44630896) is (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride is Cl.Cn1ncc(Cl)c1CN.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride?
The InChIKey is YVZSEMRWKIEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3.ClH/c1-9-5(2-7)4(6)3-8-9;/h3H,2,7H2,1H3;1H.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride?
(4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride has a molecular weight of 182.05 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 44630896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).