5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C13H19ClN4S — CID 106037255

IUPAC5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ccc(Cl)s2)c1N
InChIInChI=1S/C13H19ClN4S/c1-8(2)18-13(12(15)9(3)17-18)16-7-6-10-4-5-11(14)19-10/h4-5,8,16H,6-7,15H2,1-3H3
InChIKeyFCDUHYMGZRJTJM-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.72
Rot. Bonds5

About 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 106037255) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID106037255
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ccc(Cl)s2)c1N
InChIInChI=1S/C13H19ClN4S/c1-8(2)18-13(12(15)9(3)17-18)16-7-6-10-4-5-11(14)19-10/h4-5,8,16H,6-7,15H2,1-3H3
InChIKeyFCDUHYMGZRJTJM-UHFFFAOYSA-N
XLogP3.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029491
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
3-methyl-5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrazole-4,5-diamine
CID 66028741
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
5-(1-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052182
3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
CID 66024374
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 106037255) is 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCc2ccc(Cl)s2)c1N.
What is the InChIKey of 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is FCDUHYMGZRJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-8(2)18-13(12(15)9(3)17-18)16-7-6-10-4-5-11(14)19-10/h4-5,8,16H,6-7,15H2,1-3H3.
What are the key properties of 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 298.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 106037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).