3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine

C14H22N4S — CID 66014606

IUPAC3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
SMILESCCCC(Nc1c(N)c(CC)nn1C)c1cccs1
InChIInChI=1S/C14H22N4S/c1-4-7-11(12-8-6-9-19-12)16-14-13(15)10(5-2)17-18(14)3/h6,8-9,11,16H,4-5,7,15H2,1-3H3
InChIKeyXLSDWRDGIVMYND-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.58
Rot. Bonds6

About 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine (PubChem CID 66014606) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
PubChem CID66014606
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
SMILESCCCC(Nc1c(N)c(CC)nn1C)c1cccs1
InChIInChI=1S/C14H22N4S/c1-4-7-11(12-8-6-9-19-12)16-14-13(15)10(5-2)17-18(14)3/h6,8-9,11,16H,4-5,7,15H2,1-3H3
InChIKeyXLSDWRDGIVMYND-UHFFFAOYSA-N
XLogP3.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588
3-ethyl-1-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66016189
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
1-ethyl-3-methyl-4-nitro-N-(1-thiophen-2-ylbutyl)pyrazol-5-amine
CID 66010845
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901
1,3,6-trimethyl-N-[(1R)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873902
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine (CID 66014606) is 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine is CCCC(Nc1c(N)c(CC)nn1C)c1cccs1.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine?
The InChIKey is XLSDWRDGIVMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-7-11(12-8-6-9-19-12)16-14-13(15)10(5-2)17-18(14)3/h6,8-9,11,16H,4-5,7,15H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66014606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).