3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine

C12H23N3 — CID 115923153

IUPAC3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)C(C)C
InChIInChI=1S/C12H23N3/c1-6-10(9(3)4)13-12-8-15(5)14-11(12)7-2/h8-10,13H,6-7H2,1-5H3
InChIKeyKOPAYECIWQUJHL-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine

3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine (PubChem CID 115923153) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
PubChem CID115923153
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)C(C)C
InChIInChI=1S/C12H23N3/c1-6-10(9(3)4)13-12-8-15(5)14-11(12)7-2/h8-10,13H,6-7H2,1-5H3
InChIKeyKOPAYECIWQUJHL-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
CID 107462723
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
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine (CID 115923153) is 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine is CCc1nn(C)cc1NC(CC)C(C)C.
What is the InChIKey of 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The InChIKey is KOPAYECIWQUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-10(9(3)4)13-12-8-15(5)14-11(12)7-2/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine has a molecular weight of 209.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 115923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).