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

C23H24N4O3 — CID 134325463

IUPACN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCOC3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-15-2-3-16(23(28)26-18-4-5-18)8-22(15)17-10-25-27(13-17)19-9-21(12-24-11-19)30-20-6-7-29-14-20/h2-3,8-13,18,20H,4-7,14H2,1H3,(H,26,28)
InChIKeyREVQLBMEHJQJRY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.30
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325463) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325463
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCOC3)c2)c1
InChIInChI=1S/C23H24N4O3/c1-15-2-3-16(23(28)26-18-4-5-18)8-22(15)17-10-25-27(13-17)19-9-21(12-24-11-19)30-20-6-7-29-14-20/h2-3,8-13,18,20H,4-7,14H2,1H3,(H,26,28)
InChIKeyREVQLBMEHJQJRY-UHFFFAOYSA-N
XLogP3.30
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.30
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-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325463) is N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC3CCOC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is REVQLBMEHJQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-2-3-16(23(28)26-18-4-5-18)8-22(15)17-10-25-27(13-17)19-9-21(12-24-11-19)30-20-6-7-29-14-20/h2-3,8-13,18,20H,4-7,14H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-(oxolan-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.30, 6 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-3-yloxy)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).