2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile

C20H15ClN6 — CID 141292654

IUPAC2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccn(CCn3nccc3-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C20H15ClN6/c21-18-12-15(3-4-16(18)13-22)19-6-9-26(25-19)10-11-27-20(5-8-24-27)17-2-1-7-23-14-17/h1-9,12,14H,10-11H2
InChIKeyAWAJKVTVMIFHIP-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.03
Rot. Bonds5

About 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile

2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile (PubChem CID 141292654) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile
PubChem CID141292654
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccn(CCn3nccc3-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C20H15ClN6/c21-18-12-15(3-4-16(18)13-22)19-6-9-26(25-19)10-11-27-20(5-8-24-27)17-2-1-7-23-14-17/h1-9,12,14H,10-11H2
InChIKeyAWAJKVTVMIFHIP-UHFFFAOYSA-N
XLogP4.03
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-butylpyrazol-3-yl)-2-chlorobenzonitrile
CID 141292745
2-chloro-4-(1-methylpyrazol-3-yl)benzonitrile
CID 134414375
4-[1-(2-aminobutyl)pyrazol-3-yl]-2-chlorobenzonitrile;hydrochloride
CID 70656036
2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
CID 155798792
2-chloro-4-[1-[2-(2H-1,3-oxazol-3-yl)propyl]pyrazol-3-yl]benzonitrile
CID 123413831
4-[1-[(2S)-1-aminopropan-2-yl]pyrazol-3-yl]-2-chlorobenzonitrile
CID 67171193
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyridine-2-carboxamide
CID 70656387
N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide
CID 70657229
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 70656419
1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 174652992
1-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]pyrazole-3-carboxamide
CID 175203286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile (CID 141292654) is 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile is N#Cc1ccc(-c2ccn(CCn3nccc3-c3cccnc3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile?
The InChIKey is AWAJKVTVMIFHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c21-18-12-15(3-4-16(18)13-22)19-6-9-26(25-19)10-11-27-20(5-8-24-27)17-2-1-7-23-14-17/h1-9,12,14H,10-11H2.
What are the key properties of 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile?
2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile has a molecular weight of 374.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 141292654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).