N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide

C19H19N3O — CID 29084327

IUPACN-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C19H19N3O/c1-3-19(23)21-18-8-7-13(2)11-16(18)14-5-4-6-15(12-14)17-9-10-20-22-17/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyODNXKCZTHQDDRO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.40
Rot. Bonds4

About N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide

N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide (PubChem CID 29084327) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
PubChem CID29084327
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C19H19N3O/c1-3-19(23)21-18-8-7-13(2)11-16(18)14-5-4-6-15(12-14)17-9-10-20-22-17/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyODNXKCZTHQDDRO-UHFFFAOYSA-N
XLogP4.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide?
The IUPAC name of N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide (CID 29084327) is N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide is CCC(=O)Nc1ccc(C)cc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide?
The InChIKey is ODNXKCZTHQDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-19(23)21-18-8-7-13(2)11-16(18)14-5-4-6-15(12-14)17-9-10-20-22-17/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide?
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide is sourced from PubChem (CID 29084327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).