4-chloro-N,1-dimethylpyrazol-5-amine

C5H8ClN3 — CID 83872406

IUPAC4-chloro-N,1-dimethylpyrazol-5-amine
SMILESCNc1c(Cl)cnn1C
InChIInChI=1S/C5H8ClN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3
InChIKeyJIAQRMODODYDEJ-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.12
Rot. Bonds1

About 4-chloro-N,1-dimethylpyrazol-5-amine

4-chloro-N,1-dimethylpyrazol-5-amine (PubChem CID 83872406) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-chloro-N,1-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-N,1-dimethylpyrazol-5-amine
PubChem CID83872406
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name4-chloro-N,1-dimethylpyrazol-5-amine
SMILESCNc1c(Cl)cnn1C
InChIInChI=1S/C5H8ClN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3
InChIKeyJIAQRMODODYDEJ-UHFFFAOYSA-N
XLogP1.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethylpyrazol-5-amine?
The IUPAC name of 4-chloro-N,1-dimethylpyrazol-5-amine (CID 83872406) is 4-chloro-N,1-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-N,1-dimethylpyrazol-5-amine?
The canonical SMILES for 4-chloro-N,1-dimethylpyrazol-5-amine is CNc1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N,1-dimethylpyrazol-5-amine?
The InChIKey is JIAQRMODODYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-7-5-4(6)3-8-9(5)2/h3,7H,1-2H3.
What are the key properties of 4-chloro-N,1-dimethylpyrazol-5-amine?
4-chloro-N,1-dimethylpyrazol-5-amine has a molecular weight of 145.59 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethylpyrazol-5-amine is sourced from PubChem (CID 83872406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).