1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine

C13H25N5 — CID 112669602

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)NN1CCCCC1
InChIInChI=1S/C13H25N5/c1-3-12-11(10-17(2)15-12)13(9-14)16-18-7-5-4-6-8-18/h10,13,16H,3-9,14H2,1-2H3
InChIKeyXMMKWZGLDZCEEH-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.97
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 112669602) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
PubChem CID112669602
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)NN1CCCCC1
InChIInChI=1S/C13H25N5/c1-3-12-11(10-17(2)15-12)13(9-14)16-18-7-5-4-6-8-18/h10,13,16H,3-9,14H2,1-2H3
InChIKeyXMMKWZGLDZCEEH-UHFFFAOYSA-N
XLogP0.97
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 112669237
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161042
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
2-(cyclopropylamino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670719

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine (CID 112669602) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine is CCc1nn(C)cc1C(CN)NN1CCCCC1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is XMMKWZGLDZCEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-12-11(10-17(2)15-12)13(9-14)16-18-7-5-4-6-8-18/h10,13,16H,3-9,14H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 112669602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).