5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C15H26N4 — CID 107845996

IUPAC5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCCC2=CCCCC2)c1N
InChIInChI=1S/C15H26N4/c1-11(2)14-13(16)15(19(3)18-14)17-10-9-12-7-5-4-6-8-12/h7,11,17H,4-6,8-10,16H2,1-3H3
InChIKeyQPVPLUPWPWVRRX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds5

About 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 107845996) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID107845996
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCCC2=CCCCC2)c1N
InChIInChI=1S/C15H26N4/c1-11(2)14-13(16)15(19(3)18-14)17-10-9-12-7-5-4-6-8-12/h7,11,17H,4-6,8-10,16H2,1-3H3
InChIKeyQPVPLUPWPWVRRX-UHFFFAOYSA-N
XLogP3.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
5-N-(3-ethylsulfanylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114247802
5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 106166404
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 114153886
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 106177696
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28620947

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 107845996) is 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCCC2=CCCCC2)c1N.
What is the InChIKey of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is QPVPLUPWPWVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)14-13(16)15(19(3)18-14)17-10-9-12-7-5-4-6-8-12/h7,11,17H,4-6,8-10,16H2,1-3H3.
What are the key properties of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 107845996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).