1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine

C9H16N4 — CID 82882921

IUPAC1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCn1ccc(CNC2CC(N)C2)n1
InChIInChI=1S/C9H16N4/c1-13-3-2-8(12-13)6-11-9-4-7(10)5-9/h2-3,7,9,11H,4-6,10H2,1H3
InChIKeyXASUHNUQTYTAPP-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.00
Rot. Bonds3

About 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine

1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine (PubChem CID 82882921) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
PubChem CID82882921
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCn1ccc(CNC2CC(N)C2)n1
InChIInChI=1S/C9H16N4/c1-13-3-2-8(12-13)6-11-9-4-7(10)5-9/h2-3,7,9,11H,4-6,10H2,1H3
InChIKeyXASUHNUQTYTAPP-UHFFFAOYSA-N
XLogP-0.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882728
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882732
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 115320188
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-[(1-methylpyrazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82866707
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine (CID 82882921) is 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine is Cn1ccc(CNC2CC(N)C2)n1.
What is the InChIKey of 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine?
The InChIKey is XASUHNUQTYTAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-3-2-8(12-13)6-11-9-4-7(10)5-9/h2-3,7,9,11H,4-6,10H2,1H3.
What are the key properties of 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine?
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 82882921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).