N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide

C17H24N4O2 — CID 110935836

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CCO
InChIInChI=1S/C17H24N4O2/c1-13-17(18-16(23)9-10-20(3)11-12-22)14(2)21(19-13)15-7-5-4-6-8-15/h4-8,22H,9-12H2,1-3H3,(H,18,23)
InChIKeyBUBXOALOGXIEAJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.74
Rot. Bonds7

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 110935836) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID110935836
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CCO
InChIInChI=1S/C17H24N4O2/c1-13-17(18-16(23)9-10-20(3)11-12-22)14(2)21(19-13)15-7-5-4-6-8-15/h4-8,22H,9-12H2,1-3H3,(H,18,23)
InChIKeyBUBXOALOGXIEAJ-UHFFFAOYSA-N
XLogP1.74
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869748
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55481941
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890949
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302735
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] butanoate
CID 7796847
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
methyl 3-[[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]-(2-methylpropyl)amino]propanoate
CID 56526219
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide (CID 110935836) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)CCO.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is BUBXOALOGXIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-17(18-16(23)9-10-20(3)11-12-22)14(2)21(19-13)15-7-5-4-6-8-15/h4-8,22H,9-12H2,1-3H3,(H,18,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 110935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).