1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile

C14H18N4S — CID 55243651

IUPAC1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(c2cccs2)C(C)C)c1C#N
InChIInChI=1S/C14H18N4S/c1-9(2)13(12-6-5-7-19-12)16-14-11(8-15)10(3)17-18(14)4/h5-7,9,13,16H,1-4H3
InChIKeyAPFRZAADWYGELT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.47
Rot. Bonds4

About 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile (PubChem CID 55243651) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
PubChem CID55243651
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(c2cccs2)C(C)C)c1C#N
InChIInChI=1S/C14H18N4S/c1-9(2)13(12-6-5-7-19-12)16-14-11(8-15)10(3)17-18(14)4/h5-7,9,13,16H,1-4H3
InChIKeyAPFRZAADWYGELT-UHFFFAOYSA-N
XLogP3.47
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284453
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
5-[1-(3-bromophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756467
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
CID 114159097
5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 18128369
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile (CID 55243651) is 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile is Cc1nn(C)c(NC(c2cccs2)C(C)C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile?
The InChIKey is APFRZAADWYGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)13(12-6-5-7-19-12)16-14-11(8-15)10(3)17-18(14)4/h5-7,9,13,16H,1-4H3.
What are the key properties of 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile has a molecular weight of 274.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 55243651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).