4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

C20H22N4O2 — CID 154726271

IUPAC4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCc1n[nH]c(C)c1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1
InChIInChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)
InChIKeyVQZTVBGPAZGVHT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.64
Rot. Bonds5

About 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 154726271) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID154726271
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCc1n[nH]c(C)c1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1
InChIInChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)
InChIKeyVQZTVBGPAZGVHT-UHFFFAOYSA-N
XLogP3.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (CID 154726271) is 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is Cc1n[nH]c(C)c1-c1cncc(-c2ccc(C(N)=O)c(OC(C)C)c2)c1.
What is the InChIKey of 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is VQZTVBGPAZGVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 154726271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).