1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine

C10H18N4 — CID 80562201

IUPAC1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
SMILESCC(C)n1cc(NC2CC(N)C2)cn1
InChIInChI=1S/C10H18N4/c1-7(2)14-6-10(5-12-14)13-9-3-8(11)4-9/h5-9,13H,3-4,11H2,1-2H3
InChIKeyNGWQKGOZOJGKSW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.37
Rot. Bonds3

About 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine

1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine (PubChem CID 80562201) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
PubChem CID80562201
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
SMILESCC(C)n1cc(NC2CC(N)C2)cn1
InChIInChI=1S/C10H18N4/c1-7(2)14-6-10(5-12-14)13-9-3-8(11)4-9/h5-9,13H,3-4,11H2,1-2H3
InChIKeyNGWQKGOZOJGKSW-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine (CID 80562201) is 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine is CC(C)n1cc(NC2CC(N)C2)cn1.
What is the InChIKey of 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine?
The InChIKey is NGWQKGOZOJGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)14-6-10(5-12-14)13-9-3-8(11)4-9/h5-9,13H,3-4,11H2,1-2H3.
What are the key properties of 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine?
1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).