(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide

C22H25N3O — CID 51925794

IUPAC(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-21(20-12-8-5-9-13-20)22(26)24(2)15-19-14-23-25(17-19)16-18-10-6-4-7-11-18/h4-14,17,21H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyCKEADNPENAMQRH-OAQYLSRUSA-N
MW347.46 g/mol
LogP4.08
Rot. Bonds7

About (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide

(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide (PubChem CID 51925794) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
PubChem CID51925794
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-21(20-12-8-5-9-13-20)22(26)24(2)15-19-14-23-25(17-19)16-18-10-6-4-7-11-18/h4-14,17,21H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyCKEADNPENAMQRH-OAQYLSRUSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26641517
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
CID 95907498
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide (CID 51925794) is (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide is CC[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide?
The InChIKey is CKEADNPENAMQRH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-21(20-12-8-5-9-13-20)22(26)24(2)15-19-14-23-25(17-19)16-18-10-6-4-7-11-18/h4-14,17,21H,3,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide?
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide is sourced from PubChem (CID 51925794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).