(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide

C22H24FN3O — CID 25367831

IUPAC(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
SMILESCc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1F
InChIInChI=1S/C22H24FN3O/c1-16-18(15-26(3)24-16)14-25(2)22(27)13-20(17-9-5-4-6-10-17)19-11-7-8-12-21(19)23/h4-12,15,20H,13-14H2,1-3H3/t20-/m1/s1
InChIKeyASAYSDWXECKEQE-HXUWFJFHSA-N
MW365.45 g/mol
LogP4.05
Rot. Bonds6

About (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide

(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide (PubChem CID 25367831) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
PubChem CID25367831
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
SMILESCc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1F
InChIInChI=1S/C22H24FN3O/c1-16-18(15-26(3)24-16)14-25(2)22(27)13-20(17-9-5-4-6-10-17)19-11-7-8-12-21(19)23/h4-12,15,20H,13-14H2,1-3H3/t20-/m1/s1
InChIKeyASAYSDWXECKEQE-HXUWFJFHSA-N
XLogP4.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 45198535
3-(2-fluorophenyl)-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45210792
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 45177870
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
CID 35520705
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 26315813
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771414
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 25460689
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 83095079

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide (CID 25367831) is (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide is Cc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1F.
What is the InChIKey of (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is ASAYSDWXECKEQE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16-18(15-26(3)24-16)14-25(2)22(27)13-20(17-9-5-4-6-10-17)19-11-7-8-12-21(19)23/h4-12,15,20H,13-14H2,1-3H3/t20-/m1/s1.
What are the key properties of (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide?
(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 365.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 25367831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).