2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide

C19H28N4O — CID 86809135

IUPAC2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(Cn2nc(C)c(CNCC(=O)NC(C)C)c2C)cc1
InChIInChI=1S/C19H28N4O/c1-13(2)21-19(24)11-20-10-18-15(4)22-23(16(18)5)12-17-8-6-14(3)7-9-17/h6-9,13,20H,10-12H2,1-5H3,(H,21,24)
InChIKeyLOJZCHVGFVMFQU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.47
Rot. Bonds7

About 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide

2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide (PubChem CID 86809135) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
PubChem CID86809135
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(Cn2nc(C)c(CNCC(=O)NC(C)C)c2C)cc1
InChIInChI=1S/C19H28N4O/c1-13(2)21-19(24)11-20-10-18-15(4)22-23(16(18)5)12-17-8-6-14(3)7-9-17/h6-9,13,20H,10-12H2,1-5H3,(H,21,24)
InChIKeyLOJZCHVGFVMFQU-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 86776364
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
N-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 36872418
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119571153
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112805090
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119599585
(2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 8944360
[2-oxo-2-(propan-2-ylamino)ethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7355653
2-cyclopropyl-2-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]acetic acid
CID 119213968
2-[4-[(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55428056
N-[4-[[4-(2,2-dihydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]-4-methylbenzamide
CID 126490143

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide (CID 86809135) is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide is Cc1ccc(Cn2nc(C)c(CNCC(=O)NC(C)C)c2C)cc1.
What is the InChIKey of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide?
The InChIKey is LOJZCHVGFVMFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(2)21-19(24)11-20-10-18-15(4)22-23(16(18)5)12-17-8-6-14(3)7-9-17/h6-9,13,20H,10-12H2,1-5H3,(H,21,24).
What are the key properties of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide?
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 86809135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).