5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine

C8H16N4 — CID 117038615

IUPAC5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
SMILESCC(C)N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C8H16N4/c1-6(2)12(3)5-7-4-8(9)11-10-7/h4,6H,5H2,1-3H3,(H3,9,10,11)
InChIKeyMCZYEOQTLBRXRS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.83
Rot. Bonds3

About 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine

5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038615) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
PubChem CID117038615
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
SMILESCC(C)N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C8H16N4/c1-6(2)12(3)5-7-4-8(9)11-10-7/h4,6H,5H2,1-3H3,(H3,9,10,11)
InChIKeyMCZYEOQTLBRXRS-UHFFFAOYSA-N
XLogP0.83
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
CID 117038622
5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038736
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
5-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038706
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine (CID 117038615) is 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine is CC(C)N(C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine?
The InChIKey is MCZYEOQTLBRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12(3)5-7-4-8(9)11-10-7/h4,6H,5H2,1-3H3,(H3,9,10,11).
What are the key properties of 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine?
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).