2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

C19H22ClN5 — CID 50796500

IUPAC2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCC(C)N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C19H22ClN5/c1-14(2)23-9-11-24(12-10-23)19-18-13-17(22-25(18)8-7-21-19)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyUYYNBFCJLAQRAD-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 50796500) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID50796500
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESCC(C)N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C19H22ClN5/c1-14(2)23-9-11-24(12-10-23)19-18-13-17(22-25(18)8-7-21-19)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3
InChIKeyUYYNBFCJLAQRAD-UHFFFAOYSA-N
XLogP3.58
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (CID 50796500) is 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is CC(C)N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is UYYNBFCJLAQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-14(2)23-9-11-24(12-10-23)19-18-13-17(22-25(18)8-7-21-19)15-3-5-16(20)6-4-15/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 355.87 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50796500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).