N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide

C24H26N4O3 — CID 134325450

IUPACN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H26N4O3/c1-16-4-5-17(24(29)27-19-6-7-19)9-23(16)18-11-26-28(14-18)20-10-22(13-25-12-20)31-15-21-3-2-8-30-21/h4-5,9-14,19,21H,2-3,6-8,15H2,1H3,(H,27,29)
InChIKeyFDROTYJWBHHICQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.69
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325450) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325450
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H26N4O3/c1-16-4-5-17(24(29)27-19-6-7-19)9-23(16)18-11-26-28(14-18)20-10-22(13-25-12-20)31-15-21-3-2-8-30-21/h4-5,9-14,19,21H,2-3,6-8,15H2,1H3,(H,27,29)
InChIKeyFDROTYJWBHHICQ-UHFFFAOYSA-N
XLogP3.69
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.69
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-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325450) is N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is FDROTYJWBHHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-4-5-17(24(29)27-19-6-7-19)9-23(16)18-11-26-28(14-18)20-10-22(13-25-12-20)31-15-21-3-2-8-30-21/h4-5,9-14,19,21H,2-3,6-8,15H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.69, 7 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-[5-(oxolan-2-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).