CJLUNEBNAGOIAL-UHFFFAOYSA-N

Name: CJLUNEBNAGOIAL-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₁F₂N₇O₂ — CID 19578429

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[4-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

SMILESCn1nccc1C(=O)N1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC1

InChIInChI=1S/C23H21F2N7O2/c1-29-18(7-8-26-29)23(34)31-11-9-30(10-12-31)22(33)16-14-27-32-19(20(24)25)13-17(28-21(16)32)15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3

InChIKeyCJLUNEBNAGOIAL-UHFFFAOYSA-N

MW465.46 g/mol

LogP2.67

Rot. Bonds4

About CJLUNEBNAGOIAL-UHFFFAOYSA-N

CJLUNEBNAGOIAL-UHFFFAOYSA-N (PubChem CID 19578429) has the molecular formula C₂₃H₂₁F₂N₇O₂ and a molecular weight of 465.46 g/mol. Its IUPAC name is [4-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name	CJLUNEBNAGOIAL-UHFFFAOYSA-N
PubChem CID	19578429
Molecular Formula	C₂₃H₂₁F₂N₇O₂
Molecular Weight	465.46 g/mol
Exact Mass	465.17
IUPAC Name	[4-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILES	Cn1nccc1C(=O)N1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC1
InChI	InChI=1S/C23H21F2N7O2/c1-29-18(7-8-26-29)23(34)31-11-9-30(10-12-31)22(33)16-14-27-32-19(20(24)25)13-17(28-21(16)32)15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3
InChIKey	CJLUNEBNAGOIAL-UHFFFAOYSA-N
XLogP	2.67
TPSA	88.63 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of CJLUNEBNAGOIAL-UHFFFAOYSA-N?

The IUPAC name of CJLUNEBNAGOIAL-UHFFFAOYSA-N (CID 19578429) is [4-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

What is the SMILES notation for CJLUNEBNAGOIAL-UHFFFAOYSA-N?

The canonical SMILES for CJLUNEBNAGOIAL-UHFFFAOYSA-N is Cn1nccc1C(=O)N1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC1.

What is the InChIKey of CJLUNEBNAGOIAL-UHFFFAOYSA-N?

The InChIKey is CJLUNEBNAGOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-29-18(7-8-26-29)23(34)31-11-9-30(10-12-31)22(33)16-14-27-32-19(20(24)25)13-17(28-21(16)32)15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3.

What are the key properties of CJLUNEBNAGOIAL-UHFFFAOYSA-N?

CJLUNEBNAGOIAL-UHFFFAOYSA-N has a molecular weight of 465.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for CJLUNEBNAGOIAL-UHFFFAOYSA-N is sourced from PubChem (CID 19578429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 19578429 — identifiers, structure, computed properties (public domain)

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