N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide

C21H25N3O2 — CID 131948288

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCCn1cc(CN(C)C(=O)CC(Cc2ccccc2)c2ccco2)cn1
InChIInChI=1S/C21H25N3O2/c1-3-24-16-18(14-22-24)15-23(2)21(25)13-19(20-10-7-11-26-20)12-17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3
InChIKeyINXKLBQLEWVZHO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.87
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide (PubChem CID 131948288) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide
PubChem CID131948288
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCCn1cc(CN(C)C(=O)CC(Cc2ccccc2)c2ccco2)cn1
InChIInChI=1S/C21H25N3O2/c1-3-24-16-18(14-22-24)15-23(2)21(25)13-19(20-10-7-11-26-20)12-17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3
InChIKeyINXKLBQLEWVZHO-UHFFFAOYSA-N
XLogP3.87
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide (CID 131948288) is N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide is CCn1cc(CN(C)C(=O)CC(Cc2ccccc2)c2ccco2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide?
The InChIKey is INXKLBQLEWVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-24-16-18(14-22-24)15-23(2)21(25)13-19(20-10-7-11-26-20)12-17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide has a molecular weight of 351.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 131948288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).