4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine

C14H24N4 — CID 69475776

IUPAC4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine
SMILESCc1nn(CCN(C)C)c(N)c1C1=CCCCC1
InChIInChI=1S/C14H24N4/c1-11-13(12-7-5-4-6-8-12)14(15)18(16-11)10-9-17(2)3/h7H,4-6,8-10,15H2,1-3H3
InChIKeyMOKJZZIUXOYEHD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds4

About 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine

4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine (PubChem CID 69475776) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine
PubChem CID69475776
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine
SMILESCc1nn(CCN(C)C)c(N)c1C1=CCCCC1
InChIInChI=1S/C14H24N4/c1-11-13(12-7-5-4-6-8-12)14(15)18(16-11)10-9-17(2)3/h7H,4-6,8-10,15H2,1-3H3
InChIKeyMOKJZZIUXOYEHD-UHFFFAOYSA-N
XLogP2.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine (CID 69475776) is 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine is Cc1nn(CCN(C)C)c(N)c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine?
The InChIKey is MOKJZZIUXOYEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-13(12-7-5-4-6-8-12)14(15)18(16-11)10-9-17(2)3/h7H,4-6,8-10,15H2,1-3H3.
What are the key properties of 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine?
4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine has a molecular weight of 248.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-[2-(dimethylamino)ethyl]-3-methylpyrazol-5-amine is sourced from PubChem (CID 69475776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).