3-chloro-1-methylpyrazol-4-amine;hydrochloride

C4H7Cl2N3 — CID 154814564

IUPAC3-chloro-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(Cl)n1
InChIInChI=1S/C4H6ClN3.ClH/c1-8-2-3(6)4(5)7-8;/h2H,6H2,1H3;1H
InChIKeyCHEDTDDBNJJBFM-UHFFFAOYSA-N
MW168.03 g/mol
LogP1.08
Rot. Bonds

About 3-chloro-1-methylpyrazol-4-amine;hydrochloride

3-chloro-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 154814564) has the molecular formula C4H7Cl2N3 and a molecular weight of 168.03 g/mol. Its IUPAC name is 3-chloro-1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-1-methylpyrazol-4-amine;hydrochloride
PubChem CID154814564
Molecular FormulaC4H7Cl2N3
Molecular Weight168.03 g/mol
Exact Mass167.00
IUPAC Name3-chloro-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(Cl)n1
InChIInChI=1S/C4H6ClN3.ClH/c1-8-2-3(6)4(5)7-8;/h2H,6H2,1H3;1H
InChIKeyCHEDTDDBNJJBFM-UHFFFAOYSA-N
XLogP1.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-chloro-1-methylpyrazol-4-amine;hydrochloride (CID 154814564) is 3-chloro-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-chloro-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-chloro-1-methylpyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)c(Cl)n1.
What is the InChIKey of 3-chloro-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is CHEDTDDBNJJBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3.ClH/c1-8-2-3(6)4(5)7-8;/h2H,6H2,1H3;1H.
What are the key properties of 3-chloro-1-methylpyrazol-4-amine;hydrochloride?
3-chloro-1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 168.03 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 154814564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).