N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

C19H27N3O2 — CID 16673529

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccnn2C(C)C)cc1C(C)C
InChIInChI=1S/C19H27N3O2/c1-12(2)16-10-15(14(5)9-18(16)24-6)11-20-19(23)17-7-8-21-22(17)13(3)4/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyMTPMHKASPSGHGB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.83
Rot. Bonds6

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 16673529) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID16673529
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccnn2C(C)C)cc1C(C)C
InChIInChI=1S/C19H27N3O2/c1-12(2)16-10-15(14(5)9-18(16)24-6)11-20-19(23)17-7-8-21-22(17)13(3)4/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyMTPMHKASPSGHGB-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 16673529) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is COc1cc(C)c(CNC(=O)c2ccnn2C(C)C)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is MTPMHKASPSGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)16-10-15(14(5)9-18(16)24-6)11-20-19(23)17-7-8-21-22(17)13(3)4/h7-10,12-13H,11H2,1-6H3,(H,20,23).
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 16673529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).