N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide

C16H22N4O — CID 60932420

IUPACN-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(c2ccccc2)C(C)C)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)16(13-7-5-4-6-8-13)19-14-9-18-20(10-14)11-15(21)17-3/h4-10,12,16,19H,11H2,1-3H3,(H,17,21)
InChIKeyJALXRTCUICIMTG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide

N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide (PubChem CID 60932420) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
PubChem CID60932420
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(c2ccccc2)C(C)C)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)16(13-7-5-4-6-8-13)19-14-9-18-20(10-14)11-15(21)17-3/h4-10,12,16,19H,11H2,1-3H3,(H,17,21)
InChIKeyJALXRTCUICIMTG-UHFFFAOYSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 95297420
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
2-[4-[(3-methyl-2-phenylbutyl)amino]pyrazol-1-yl]acetamide
CID 107875956
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
CID 166214329

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide (CID 60932420) is N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NC(c2ccccc2)C(C)C)cn1.
What is the InChIKey of N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide?
The InChIKey is JALXRTCUICIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)16(13-7-5-4-6-8-13)19-14-9-18-20(10-14)11-15(21)17-3/h4-10,12,16,19H,11H2,1-3H3,(H,17,21).
What are the key properties of N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide?
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 60932420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).