7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine

C19H23N5 — CID 95708915

IUPAC7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN[C@H](c3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C19H23N5/c1-2-6-16-13-19(24-18(22-16)9-10-21-24)23-12-11-20-17(14-23)15-7-4-3-5-8-15/h3-5,7-10,13,17,20H,2,6,11-12,14H2,1H3/t17-/m0/s1
InChIKeyAOZPDPBJCVOTGQ-KRWDZBQOSA-N
MW321.43 g/mol
LogP2.83
Rot. Bonds4

About 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine

7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 95708915) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID95708915
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN[C@H](c3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C19H23N5/c1-2-6-16-13-19(24-18(22-16)9-10-21-24)23-12-11-20-17(14-23)15-7-4-3-5-8-15/h3-5,7-10,13,17,20H,2,6,11-12,14H2,1H3/t17-/m0/s1
InChIKeyAOZPDPBJCVOTGQ-KRWDZBQOSA-N
XLogP2.83
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine (CID 95708915) is 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(N2CCN[C@H](c3ccccc3)C2)n2nccc2n1.
What is the InChIKey of 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AOZPDPBJCVOTGQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5/c1-2-6-16-13-19(24-18(22-16)9-10-21-24)23-12-11-20-17(14-23)15-7-4-3-5-8-15/h3-5,7-10,13,17,20H,2,6,11-12,14H2,1H3/t17-/m0/s1.
What are the key properties of 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine?
7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 321.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-phenylpiperazin-1-yl]-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95708915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).