N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

C13H21N5 — CID 113354221

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H21N5/c1-6-12-13(8-18(5)16-12)14-9(2)11-7-17(4)15-10(11)3/h7-9,14H,6H2,1-5H3
InChIKeyOHGKPMISAWWADD-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 113354221) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID113354221
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H21N5/c1-6-12-13(8-18(5)16-12)14-9(2)11-7-17(4)15-10(11)3/h7-9,14H,6H2,1-5H3
InChIKeyOHGKPMISAWWADD-UHFFFAOYSA-N
XLogP2.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 139018917
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932643
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (CID 113354221) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1cn(C)nc1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is OHGKPMISAWWADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-6-12-13(8-18(5)16-12)14-9(2)11-7-17(4)15-10(11)3/h7-9,14H,6H2,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 113354221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).