5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine

C10H20N4 — CID 117038793

IUPAC5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
SMILESCCCCCN(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C10H20N4/c1-3-4-5-6-14(2)8-9-7-10(11)13-12-9/h7H,3-6,8H2,1-2H3,(H3,11,12,13)
InChIKeyGHQPRMGSNVYDBX-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.61
Rot. Bonds6

About 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine

5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038793) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
PubChem CID117038793
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
SMILESCCCCCN(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C10H20N4/c1-3-4-5-6-14(2)8-9-7-10(11)13-12-9/h7H,3-6,8H2,1-2H3,(H3,11,12,13)
InChIKeyGHQPRMGSNVYDBX-UHFFFAOYSA-N
XLogP1.61
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
5-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038706
5-(3-methoxypropyl)-1H-pyrazol-3-amine
CID 45121235
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
CID 43509178

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine (CID 117038793) is 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine is CCCCCN(C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine?
The InChIKey is GHQPRMGSNVYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-4-5-6-14(2)8-9-7-10(11)13-12-9/h7H,3-6,8H2,1-2H3,(H3,11,12,13).
What are the key properties of 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine?
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine has a molecular weight of 196.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).