5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile

C14H15ClN6 — CID 10425046

IUPAC5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccc(Cl)cc3)CC2)n[nH]c1N
InChIInChI=1S/C14H15ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(9-16)13(17)18-19-14/h1-4H,5-8H2,(H3,17,18,19)
InChIKeyOOKOUIZEJHPNIN-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.84
Rot. Bonds2

About 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile

5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 10425046) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
PubChem CID10425046
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccc(Cl)cc3)CC2)n[nH]c1N
InChIInChI=1S/C14H15ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(9-16)13(17)18-19-14/h1-4H,5-8H2,(H3,17,18,19)
InChIKeyOOKOUIZEJHPNIN-UHFFFAOYSA-N
XLogP1.84
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile (CID 10425046) is 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N2CCN(c3ccc(Cl)cc3)CC2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is OOKOUIZEJHPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(9-16)13(17)18-19-14/h1-4H,5-8H2,(H3,17,18,19).
What are the key properties of 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 302.77 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10425046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).