3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile

C13H15N5S — CID 103507777

IUPAC3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
SMILESCn1cc(CNc2sc(C#N)c(N)c2C2CC2)cn1
InChIInChI=1S/C13H15N5S/c1-18-7-8(6-17-18)5-16-13-11(9-2-3-9)12(15)10(4-14)19-13/h6-7,9,16H,2-3,5,15H2,1H3
InChIKeyGZZALGGUQXSQCV-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile (PubChem CID 103507777) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
PubChem CID103507777
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
SMILESCn1cc(CNc2sc(C#N)c(N)c2C2CC2)cn1
InChIInChI=1S/C13H15N5S/c1-18-7-8(6-17-18)5-16-13-11(9-2-3-9)12(15)10(4-14)19-13/h6-7,9,16H,2-3,5,15H2,1H3
InChIKeyGZZALGGUQXSQCV-UHFFFAOYSA-N
XLogP2.42
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
3-amino-4-ethylsulfonyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507833
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
4-amino-3-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 113444132
3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276713
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103507837
2-(methylamino)-6-[(1-methylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 143626313
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile (CID 103507777) is 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile is Cn1cc(CNc2sc(C#N)c(N)c2C2CC2)cn1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile?
The InChIKey is GZZALGGUQXSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-18-7-8(6-17-18)5-16-13-11(9-2-3-9)12(15)10(4-14)19-13/h6-7,9,16H,2-3,5,15H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile has a molecular weight of 273.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile is sourced from PubChem (CID 103507777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).