5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine

C13H18N4 — CID 115111604

IUPAC5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(-c2cc(N)n[nH]2)cc(N(C)C)c1C
InChIInChI=1S/C13H18N4/c1-8-5-10(11-7-13(14)16-15-11)6-12(9(8)2)17(3)4/h5-7H,1-4H3,(H3,14,15,16)
InChIKeyPBDCODUDVIRQBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.34
Rot. Bonds2

About 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine

5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine (PubChem CID 115111604) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine
PubChem CID115111604
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(-c2cc(N)n[nH]2)cc(N(C)C)c1C
InChIInChI=1S/C13H18N4/c1-8-5-10(11-7-13(14)16-15-11)6-12(9(8)2)17(3)4/h5-7H,1-4H3,(H3,14,15,16)
InChIKeyPBDCODUDVIRQBO-UHFFFAOYSA-N
XLogP2.34
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 115112238
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 63186082
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-amine
CID 65438735
2-(3-amino-1H-pyrazol-5-yl)-6-chloro-3,4-dimethylphenol
CID 137017167
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117449534
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
5-(1-methylisoquinolin-7-yl)-1H-pyrazol-3-amine
CID 117322043
5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
CID 117485866
methyl 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-methylbenzoate
CID 117375479

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine (CID 115111604) is 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine is Cc1cc(-c2cc(N)n[nH]2)cc(N(C)C)c1C.
What is the InChIKey of 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine?
The InChIKey is PBDCODUDVIRQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-5-10(11-7-13(14)16-15-11)6-12(9(8)2)17(3)4/h5-7H,1-4H3,(H3,14,15,16).
What are the key properties of 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine?
5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-4,5-dimethylphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115111604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).