4-chloro-N,1-dimethylpyrazol-3-amine

C5H8ClN3 — CID 83872405

IUPAC4-chloro-N,1-dimethylpyrazol-3-amine
SMILESCNc1nn(C)cc1Cl
InChIInChI=1S/C5H8ClN3/c1-7-5-4(6)3-9(2)8-5/h3H,1-2H3,(H,7,8)
InChIKeyRAWKKMDRGSCMRC-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.12
Rot. Bonds1

About 4-chloro-N,1-dimethylpyrazol-3-amine

4-chloro-N,1-dimethylpyrazol-3-amine (PubChem CID 83872405) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-chloro-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-N,1-dimethylpyrazol-3-amine
PubChem CID83872405
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name4-chloro-N,1-dimethylpyrazol-3-amine
SMILESCNc1nn(C)cc1Cl
InChIInChI=1S/C5H8ClN3/c1-7-5-4(6)3-9(2)8-5/h3H,1-2H3,(H,7,8)
InChIKeyRAWKKMDRGSCMRC-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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Related Compounds

N,1-dimethyl-4-methylsulfanylpyrazol-3-amine
CID 174381718
4-chloro-3-iodo-1-methylpyrazole
CID 79782466
3-tert-butyl-4-chloro-1-methylpyrazole
CID 58331974
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
(4-chloro-1-methylpyrazol-3-yl) formate
CID 174370828
7-chloro-6-fluoro-N-methylimidazo[1,5-a]pyridin-1-amine
CID 175122061
3,5-dichloro-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 102761241
3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
CID 55267157
4-(4-chloro-1-methylpyrazol-3-yl)-1H-tetrazol-5-one
CID 135997679
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615
3-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpyrazin-2-amine
CID 112671713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 4-chloro-N,1-dimethylpyrazol-3-amine (CID 83872405) is 4-chloro-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 4-chloro-N,1-dimethylpyrazol-3-amine is CNc1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-N,1-dimethylpyrazol-3-amine?
The InChIKey is RAWKKMDRGSCMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-7-5-4(6)3-9(2)8-5/h3H,1-2H3,(H,7,8).
What are the key properties of 4-chloro-N,1-dimethylpyrazol-3-amine?
4-chloro-N,1-dimethylpyrazol-3-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-3-amine is sourced from PubChem (CID 83872405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).