3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile

C12H13N5S — CID 103434310

IUPAC3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCc2cn[nH]c2)c(C2CC2)c1N
InChIInChI=1S/C12H13N5S/c13-3-9-11(14)10(8-1-2-8)12(18-9)15-4-7-5-16-17-6-7/h5-6,8,15H,1-2,4,14H2,(H,16,17)
InChIKeyKBSNXVKAKDKJKX-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile (PubChem CID 103434310) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
PubChem CID103434310
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
SMILESN#Cc1sc(NCc2cn[nH]c2)c(C2CC2)c1N
InChIInChI=1S/C12H13N5S/c13-3-9-11(14)10(8-1-2-8)12(18-9)15-4-7-5-16-17-6-7/h5-6,8,15H,1-2,4,14H2,(H,16,17)
InChIKeyKBSNXVKAKDKJKX-UHFFFAOYSA-N
XLogP2.41
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
CID 103433645
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103425980
ethyl 5-acetyl-4-amino-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxylate
CID 103433771
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434587

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile (CID 103434310) is 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile is N#Cc1sc(NCc2cn[nH]c2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile?
The InChIKey is KBSNXVKAKDKJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c13-3-9-11(14)10(8-1-2-8)12(18-9)15-4-7-5-16-17-6-7/h5-6,8,15H,1-2,4,14H2,(H,16,17).
What are the key properties of 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103434310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).