3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine

C13H21N5 — CID 103909181

IUPAC3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H21N5/c1-6-12-13(8-17(4)16-12)14-7-11-9(2)15-18(5)10(11)3/h8,14H,6-7H2,1-5H3
InChIKeyGQFSYNVJKSOCEE-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.94
Rot. Bonds4

About 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 103909181) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID103909181
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H21N5/c1-6-12-13(8-17(4)16-12)14-7-11-9(2)15-18(5)10(11)3/h8,14H,6-7H2,1-5H3
InChIKeyGQFSYNVJKSOCEE-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909047
2,5-dichloro-4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 115755792
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 103909181) is 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine is CCc1nn(C)cc1NCc1c(C)nn(C)c1C.
What is the InChIKey of 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is GQFSYNVJKSOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-6-12-13(8-17(4)16-12)14-7-11-9(2)15-18(5)10(11)3/h8,14H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 103909181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).