5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide

C19H27N3O — CID 42818413

IUPAC5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C19H27N3O/c1-6-10-15-18(19(23)20-13(3)4)16(7-2)22(21-15)17-12-9-8-11-14(17)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,20,23)
InChIKeyXIDSWGFGUKAPGM-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.83
Rot. Bonds6

About 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide

5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide (PubChem CID 42818413) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
PubChem CID42818413
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
SMILESCCCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C19H27N3O/c1-6-10-15-18(19(23)20-13(3)4)16(7-2)22(21-15)17-12-9-8-11-14(17)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,20,23)
InChIKeyXIDSWGFGUKAPGM-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide (CID 42818413) is 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide is CCCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC(C)C.
What is the InChIKey of 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide?
The InChIKey is XIDSWGFGUKAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-10-15-18(19(23)20-13(3)4)16(7-2)22(21-15)17-12-9-8-11-14(17)5/h8-9,11-13H,6-7,10H2,1-5H3,(H,20,23).
What are the key properties of 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide?
5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide is sourced from PubChem (CID 42818413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).