1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C14H28N4 — CID 112669289

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C14H28N4/c1-7-13-12(9-17(5)16-13)14(8-15)18(6)11(4)10(2)3/h9-11,14H,7-8,15H2,1-6H3
InChIKeyKPDVCJBEXCDNEV-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.96
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 112669289) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID112669289
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C14H28N4/c1-7-13-12(9-17(5)16-13)14(8-15)18(6)11(4)10(2)3/h9-11,14H,7-8,15H2,1-6H3
InChIKeyKPDVCJBEXCDNEV-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 112669268
N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 115989943
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 115989848
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 112669289) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(C)C(C)C(C)C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is KPDVCJBEXCDNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-13-12(9-17(5)16-13)14(8-15)18(6)11(4)10(2)3/h9-11,14H,7-8,15H2,1-6H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).