3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine

C11H21N3 — CID 115923160

IUPAC3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
SMILESCCCC(C)Nc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-5-7-9(3)12-11-8-14(4)13-10(11)6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyCWXWPGFOJKCWLC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds5

About 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine

3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine (PubChem CID 115923160) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
PubChem CID115923160
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
SMILESCCCC(C)Nc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-5-7-9(3)12-11-8-14(4)13-10(11)6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyCWXWPGFOJKCWLC-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
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
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
CID 167861816
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
CID 107462723
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine (CID 115923160) is 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine is CCCC(C)Nc1cn(C)nc1CC.
What is the InChIKey of 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine?
The InChIKey is CWXWPGFOJKCWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-9(3)12-11-8-14(4)13-10(11)6-2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine?
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 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-pentan-2-ylpyrazol-4-amine is sourced from PubChem (CID 115923160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).