N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C12H14BrN3 — CID 43547216

IUPACN-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-8-12(9(2)16-15-8)14-7-10-5-3-4-6-11(10)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyZAKMFXCWIJSFIG-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.40
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547216) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547216
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1Br
InChIInChI=1S/C12H14BrN3/c1-8-12(9(2)16-15-8)14-7-10-5-3-4-6-11(10)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyZAKMFXCWIJSFIG-UHFFFAOYSA-N
XLogP3.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
N-[(3-bromothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 115379859
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
3,5-dimethyl-N-(quinoxalin-2-ylmethyl)-1H-pyrazol-4-amine
CID 43777194
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547216) is N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is ZAKMFXCWIJSFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-12(9(2)16-15-8)14-7-10-5-3-4-6-11(10)13/h3-6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 280.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).