3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C14H21N3S — CID 79975957

IUPAC3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCCc1ccsc1-c1nn(C)c(N)c1CC(C)C
InChIInChI=1S/C14H21N3S/c1-5-10-6-7-18-13(10)12-11(8-9(2)3)14(15)17(4)16-12/h6-7,9H,5,8,15H2,1-4H3
InChIKeyKXFANVDJZGUXQY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.49
Rot. Bonds4

About 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 79975957) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID79975957
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCCc1ccsc1-c1nn(C)c(N)c1CC(C)C
InChIInChI=1S/C14H21N3S/c1-5-10-6-7-18-13(10)12-11(8-9(2)3)14(15)17(4)16-12/h6-7,9H,5,8,15H2,1-4H3
InChIKeyKXFANVDJZGUXQY-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 79975957) is 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is CCc1ccsc1-c1nn(C)c(N)c1CC(C)C.
What is the InChIKey of 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is KXFANVDJZGUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-10-6-7-18-13(10)12-11(8-9(2)3)14(15)17(4)16-12/h6-7,9H,5,8,15H2,1-4H3.
What are the key properties of 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 263.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 79975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).