N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide

C22H25N3O2 — CID 55947082

IUPACN-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
SMILESO=C(CCCOCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c26-22(12-7-14-27-15-13-19-8-3-1-4-9-19)24-21-16-23-25(18-21)17-20-10-5-2-6-11-20/h1-6,8-11,16,18H,7,12-15,17H2,(H,24,26)
InChIKeyJQQRQPFVMOIHMC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.91
Rot. Bonds10

About N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide

N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide (PubChem CID 55947082) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
PubChem CID55947082
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
SMILESO=C(CCCOCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c26-22(12-7-14-27-15-13-19-8-3-1-4-9-19)24-21-16-23-25(18-21)17-20-10-5-2-6-11-20/h1-6,8-11,16,18H,7,12-15,17H2,(H,24,26)
InChIKeyJQQRQPFVMOIHMC-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
CID 19343087
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide (CID 55947082) is N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide is O=C(CCCOCCc1ccccc1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide?
The InChIKey is JQQRQPFVMOIHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-22(12-7-14-27-15-13-19-8-3-1-4-9-19)24-21-16-23-25(18-21)17-20-10-5-2-6-11-20/h1-6,8-11,16,18H,7,12-15,17H2,(H,24,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide?
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 55947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).