5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile

C17H20N6 — CID 70487026

IUPAC5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCN(CC=Cc3ccccc3)CC2)n[nH]c1N
InChIInChI=1S/C17H20N6/c18-13-15-16(19)20-21-17(15)23-11-9-22(10-12-23)8-4-7-14-5-2-1-3-6-14/h1-7H,8-12H2,(H3,19,20,21)
InChIKeyLICUTNJDBGHMNP-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.70
Rot. Bonds4

About 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile

5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 70487026) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
PubChem CID70487026
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCN(CC=Cc3ccccc3)CC2)n[nH]c1N
InChIInChI=1S/C17H20N6/c18-13-15-16(19)20-21-17(15)23-11-9-22(10-12-23)8-4-7-14-5-2-1-3-6-14/h1-7H,8-12H2,(H3,19,20,21)
InChIKeyLICUTNJDBGHMNP-UHFFFAOYSA-N
XLogP1.70
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile
CID 3451915
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
5-nitro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 66857392
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzonitrile
CID 6066961
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile (CID 70487026) is 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N2CCN(CC=Cc3ccccc3)CC2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is LICUTNJDBGHMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-13-15-16(19)20-21-17(15)23-11-9-22(10-12-23)8-4-7-14-5-2-1-3-6-14/h1-7H,8-12H2,(H3,19,20,21).
What are the key properties of 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile?
5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 70487026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).