N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide

C16H21N3O — CID 35761342

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1cc(C)n(CCNC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-12-14(2)19(18-13)11-10-17-16(20)9-8-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyPAHCSTKZXIXLPO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 35761342) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
PubChem CID35761342
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1cc(C)n(CCNC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-12-14(2)19(18-13)11-10-17-16(20)9-8-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyPAHCSTKZXIXLPO-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 661785
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 30954787
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide (CID 35761342) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide is Cc1cc(C)n(CCNC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is PAHCSTKZXIXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-12-14(2)19(18-13)11-10-17-16(20)9-8-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 35761342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).