4-chloropyrazole-1,5-diamine

C3H5ClN4 — CID 19694980

IUPAC4-chloropyrazole-1,5-diamine
SMILESNc1c(Cl)cnn1N
InChIInChI=1S/C3H5ClN4/c4-2-1-7-8(6)3(2)5/h1H,5-6H2
InChIKeyZEDWCXXCHDTSHI-UHFFFAOYSA-N
MW132.55 g/mol
LogP-0.17
Rot. Bonds

About 4-chloropyrazole-1,5-diamine

4-chloropyrazole-1,5-diamine (PubChem CID 19694980) has the molecular formula C3H5ClN4 and a molecular weight of 132.55 g/mol. Its IUPAC name is 4-chloropyrazole-1,5-diamine.

Molecular Properties

Compound Name4-chloropyrazole-1,5-diamine
PubChem CID19694980
Molecular FormulaC3H5ClN4
Molecular Weight132.55 g/mol
Exact Mass132.02
IUPAC Name4-chloropyrazole-1,5-diamine
SMILESNc1c(Cl)cnn1N
InChIInChI=1S/C3H5ClN4/c4-2-1-7-8(6)3(2)5/h1H,5-6H2
InChIKeyZEDWCXXCHDTSHI-UHFFFAOYSA-N
XLogP-0.17
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1H-pyrazol-3-amine
CID 13834974
4-chloro-1H-pyrazol-3-amine hydrochloride
CID 50999033
4-Chloropyrazole-1,3-diamine
CID 69177040
(4-chloro-1H-pyrazol-5-yl)hydrazine;hydrochloride
CID 70470994
N-(4-chloro-1H-pyrazol-5-yl)methanimine
CID 166893852
(4-chloro-1H-pyrazol-5-yl)hydrazine
CID 70470995
3-amino-4-chloro-N-methylpyrazole-1-sulfonamide
CID 131062370

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrazole-1,5-diamine?
The IUPAC name of 4-chloropyrazole-1,5-diamine (CID 19694980) is 4-chloropyrazole-1,5-diamine.
What is the SMILES notation for 4-chloropyrazole-1,5-diamine?
The canonical SMILES for 4-chloropyrazole-1,5-diamine is Nc1c(Cl)cnn1N.
What is the InChIKey of 4-chloropyrazole-1,5-diamine?
The InChIKey is ZEDWCXXCHDTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN4/c4-2-1-7-8(6)3(2)5/h1H,5-6H2.
What are the key properties of 4-chloropyrazole-1,5-diamine?
4-chloropyrazole-1,5-diamine has a molecular weight of 132.55 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrazole-1,5-diamine is sourced from PubChem (CID 19694980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).