5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile

C10H8ClN5 — CID 8812953

IUPAC5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(Cl)cc2)n[nH]c1N
InChIInChI=1S/C10H8ClN5/c11-6-1-3-7(4-2-6)14-10-8(5-12)9(13)15-16-10/h1-4H,(H4,13,14,15,16)
InChIKeyVFOAXEJUBSLWIS-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.26
Rot. Bonds2

About 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile

5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 8812953) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile
PubChem CID8812953
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(Cl)cc2)n[nH]c1N
InChIInChI=1S/C10H8ClN5/c11-6-1-3-7(4-2-6)14-10-8(5-12)9(13)15-16-10/h1-4H,(H4,13,14,15,16)
InChIKeyVFOAXEJUBSLWIS-UHFFFAOYSA-N
XLogP2.26
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile (CID 8812953) is 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(Cl)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is VFOAXEJUBSLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c11-6-1-3-7(4-2-6)14-10-8(5-12)9(13)15-16-10/h1-4H,(H4,13,14,15,16).
What are the key properties of 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 233.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chloroanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 8812953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).