4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine

C13H21N3 — CID 79879585

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCC(C)n1ccc(C=C2CCC(N)CC2)n1
InChIInChI=1S/C13H21N3/c1-10(2)16-8-7-13(15-16)9-11-3-5-12(14)6-4-11/h7-10,12H,3-6,14H2,1-2H3/b11-9-
InChIKeyOKBMTQDDBJRMHK-LUAWRHEFSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds2

About 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine

4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine (PubChem CID 79879585) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
PubChem CID79879585
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCC(C)n1ccc(C=C2CCC(N)CC2)n1
InChIInChI=1S/C13H21N3/c1-10(2)16-8-7-13(15-16)9-11-3-5-12(14)6-4-11/h7-10,12H,3-6,14H2,1-2H3/b11-9-
InChIKeyOKBMTQDDBJRMHK-LUAWRHEFSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine (CID 79879585) is 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine is CC(C)n1ccc(C=C2CCC(N)CC2)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The InChIKey is OKBMTQDDBJRMHK-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)16-8-7-13(15-16)9-11-3-5-12(14)6-4-11/h7-10,12H,3-6,14H2,1-2H3/b11-9-.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 79879585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).