N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide

C21H23N3O — CID 110444644

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-15-20(16(2)24-23-15)14-22-21(25)13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAUBVCAHEVHGHAN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.86
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide (PubChem CID 110444644) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
PubChem CID110444644
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
SMILESCc1n[nH]c(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-15-20(16(2)24-23-15)14-22-21(25)13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyAUBVCAHEVHGHAN-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111455415
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43685440
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,3-diphenylpropanamide
CID 110671190
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
CID 97148279

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide (CID 110444644) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide is Cc1n[nH]c(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide?
The InChIKey is AUBVCAHEVHGHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-20(16(2)24-23-15)14-22-21(25)13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide has a molecular weight of 333.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 110444644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).