4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine

C12H15BrN4 — CID 117475755

IUPAC4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
SMILESCN(C)Cc1ccc(-c2cn[nH]c2N)cc1Br
InChIInChI=1S/C12H15BrN4/c1-17(2)7-9-4-3-8(5-11(9)13)10-6-15-16-12(10)14/h3-6H,7H2,1-2H3,(H3,14,15,16)
InChIKeyYMWYWQDAOPCQQO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.48
Rot. Bonds3

About 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine

4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine (PubChem CID 117475755) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
PubChem CID117475755
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine
SMILESCN(C)Cc1ccc(-c2cn[nH]c2N)cc1Br
InChIInChI=1S/C12H15BrN4/c1-17(2)7-9-4-3-8(5-11(9)13)10-6-15-16-12(10)14/h3-6H,7H2,1-2H3,(H3,14,15,16)
InChIKeyYMWYWQDAOPCQQO-UHFFFAOYSA-N
XLogP2.48
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-[3-methoxy-4-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117338159
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazol-5-amine
CID 117490345
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117308131
4-[3-bromo-4-(oxolan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117493096
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117378752
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine (CID 117475755) is 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine is CN(C)Cc1ccc(-c2cn[nH]c2N)cc1Br.
What is the InChIKey of 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine?
The InChIKey is YMWYWQDAOPCQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-17(2)7-9-4-3-8(5-11(9)13)10-6-15-16-12(10)14/h3-6H,7H2,1-2H3,(H3,14,15,16).
What are the key properties of 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine?
4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine has a molecular weight of 295.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-[(dimethylamino)methyl]phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117475755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).