N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide

C23H25N5O2 — CID 134325342

IUPACN-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O2/c1-15-2-3-17(23(29)26-19-4-5-19)10-20(15)18-11-25-28(14-18)22-13-24-12-21(27-22)16-6-8-30-9-7-16/h2-3,10-14,16,19H,4-9H2,1H3,(H,26,29)
InChIKeyXEDCVBUWBXPIFI-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.42
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide (PubChem CID 134325342) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
PubChem CID134325342
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O2/c1-15-2-3-17(23(29)26-19-4-5-19)10-20(15)18-11-25-28(14-18)22-13-24-12-21(27-22)16-6-8-30-9-7-16/h2-3,10-14,16,19H,4-9H2,1H3,(H,26,29)
InChIKeyXEDCVBUWBXPIFI-UHFFFAOYSA-N
XLogP3.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide (CID 134325342) is N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCOCC3)n2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide?
The InChIKey is XEDCVBUWBXPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-2-3-17(23(29)26-19-4-5-19)10-20(15)18-11-25-28(14-18)22-13-24-12-21(27-22)16-6-8-30-9-7-16/h2-3,10-14,16,19H,4-9H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).