5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine

C13H18N4 — CID 117038622

IUPAC5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(N(C)Cc2cc(N)n[nH]2)c1
InChIInChI=1S/C13H18N4/c1-9-4-5-10(2)12(6-9)17(3)8-11-7-13(14)16-15-11/h4-7H,8H2,1-3H3,(H3,14,15,16)
InChIKeyMNHPPAWLNILTKJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds3

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

5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine (PubChem CID 117038622) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
PubChem CID117038622
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(N(C)Cc2cc(N)n[nH]2)c1
InChIInChI=1S/C13H18N4/c1-9-4-5-10(2)12(6-9)17(3)8-11-7-13(14)16-15-11/h4-7H,8H2,1-3H3,(H3,14,15,16)
InChIKeyMNHPPAWLNILTKJ-UHFFFAOYSA-N
XLogP2.25
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038706
5-[(2-chloro-4-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
CID 117038673
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
N-benzyl-N,2,5-trimethylaniline
CID 15439716
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038736
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048

Frequently Asked Questions

What is the IUPAC name of 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine (CID 117038622) is 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine is Cc1ccc(C)c(N(C)Cc2cc(N)n[nH]2)c1.
What is the InChIKey of 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine?
The InChIKey is MNHPPAWLNILTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-5-10(2)12(6-9)17(3)8-11-7-13(14)16-15-11/h4-7H,8H2,1-3H3,(H3,14,15,16).
What are the key properties of 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine?
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).