5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile

C9H8N4S — CID 79613746

IUPAC5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2cn[nH]c2)c1
InChIInChI=1S/C9H8N4S/c10-2-7-1-9(14-6-7)5-11-8-3-12-13-4-8/h1,3-4,6,11H,5H2,(H,12,13)
InChIKeyCDQOFMFJHWKPAG-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.95
Rot. Bonds3

About 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile

5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile (PubChem CID 79613746) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile
PubChem CID79613746
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2cn[nH]c2)c1
InChIInChI=1S/C9H8N4S/c10-2-7-1-9(14-6-7)5-11-8-3-12-13-4-8/h1,3-4,6,11H,5H2,(H,12,13)
InChIKeyCDQOFMFJHWKPAG-UHFFFAOYSA-N
XLogP1.95
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43435361
2-fluoro-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 43778325
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 61102848
2-fluoro-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 62316096
3-fluoro-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 81651372
5-fluoro-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 82014530
1-(1H-pyrazol-5-yl)-N-[[5-(trifluoromethyl)thiophen-3-yl]methyl]methanamine
CID 132322473
5-(trifluoromethyl)-N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]-1H-pyrazol-4-amine
CID 167796436
N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
CID 43540080
5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
CID 67516177
5-[(4-Aminopyrazol-1-yl)methyl]thiophene-2-carbonitrile
CID 71259791
N-[(3-thiophen-2-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 91542572

Frequently Asked Questions

What is the IUPAC name of 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile (CID 79613746) is 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNc2cn[nH]c2)c1.
What is the InChIKey of 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is CDQOFMFJHWKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-2-7-1-9(14-6-7)5-11-8-3-12-13-4-8/h1,3-4,6,11H,5H2,(H,12,13).
What are the key properties of 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile?
5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 204.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1H-pyrazol-4-ylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79613746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).