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

C11H16N4S — CID 115927876

IUPAC3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
SMILESCCc1cc(NC(C)c2cncs2)n(C)n1
InChIInChI=1S/C11H16N4S/c1-4-9-5-11(15(3)14-9)13-8(2)10-6-12-7-16-10/h5-8,13H,4H2,1-3H3
InChIKeyNHUMUXBSPSMENW-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.61
Rot. Bonds4

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

3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine (PubChem CID 115927876) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
PubChem CID115927876
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
SMILESCCc1cc(NC(C)c2cncs2)n(C)n1
InChIInChI=1S/C11H16N4S/c1-4-9-5-11(15(3)14-9)13-8(2)10-6-12-7-16-10/h5-8,13H,4H2,1-3H3
InChIKeyNHUMUXBSPSMENW-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-3-amine
CID 115922073
1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 115927529
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916957
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
CID 115923316
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine (CID 115927876) is 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine is CCc1cc(NC(C)c2cncs2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine?
The InChIKey is NHUMUXBSPSMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-9-5-11(15(3)14-9)13-8(2)10-6-12-7-16-10/h5-8,13H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine?
3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine has a molecular weight of 236.34 g/mol, XLogP of 2.61, 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-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine is sourced from PubChem (CID 115927876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).