3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide

C18H25N3O2 — CID 97444692

IUPAC3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCCO[C@H](C)c1ccc(-c2c(C)nn(CCC(N)=O)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-5-23-14(4)15-6-8-16(9-7-15)18-12(2)20-21(13(18)3)11-10-17(19)22/h6-9,14H,5,10-11H2,1-4H3,(H2,19,22)/t14-/m1/s1
InChIKeyHZZAPUUMECWWQG-CQSZACIVSA-N
MW315.42 g/mol
LogP3.14
Rot. Bonds7

About 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide

3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide (PubChem CID 97444692) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide
PubChem CID97444692
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide
SMILESCCO[C@H](C)c1ccc(-c2c(C)nn(CCC(N)=O)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-5-23-14(4)15-6-8-16(9-7-15)18-12(2)20-21(13(18)3)11-10-17(19)22/h6-9,14H,5,10-11H2,1-4H3,(H2,19,22)/t14-/m1/s1
InChIKeyHZZAPUUMECWWQG-CQSZACIVSA-N
XLogP3.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide (CID 97444692) is 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide is CCO[C@H](C)c1ccc(-c2c(C)nn(CCC(N)=O)c2C)cc1.
What is the InChIKey of 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide?
The InChIKey is HZZAPUUMECWWQG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-23-14(4)15-6-8-16(9-7-15)18-12(2)20-21(13(18)3)11-10-17(19)22/h6-9,14H,5,10-11H2,1-4H3,(H2,19,22)/t14-/m1/s1.
What are the key properties of 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide?
3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide is sourced from PubChem (CID 97444692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).