N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

C18H23N3O2 — CID 22176930

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N3O2/c1-10(2)14-7-13(11(3)6-16(14)22)8-18(23)19-17-9-15(20-21-17)12-4-5-12/h6-7,9-10,12,22H,4-5,8H2,1-3H3,(H2,19,20,21,23)
InChIKeyXQORMKULNVHPPR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 22176930) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID22176930
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N3O2/c1-10(2)14-7-13(11(3)6-16(14)22)8-18(23)19-17-9-15(20-21-17)12-4-5-12/h6-7,9-10,12,22H,4-5,8H2,1-3H3,(H2,19,20,21,23)
InChIKeyXQORMKULNVHPPR-UHFFFAOYSA-N
XLogP3.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (CID 22176930) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is Cc1cc(O)c(C(C)C)cc1CC(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is XQORMKULNVHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-10(2)14-7-13(11(3)6-16(14)22)8-18(23)19-17-9-15(20-21-17)12-4-5-12/h6-7,9-10,12,22H,4-5,8H2,1-3H3,(H2,19,20,21,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22176930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).