methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate

C16H21N3O2 — CID 62770643

IUPACmethyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
SMILESCNC(C)(CCn1cc(-c2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C16H21N3O2/c1-16(17-2,15(20)21-3)9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyZVUKYPPXOUCHMT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds6

About methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate

methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate (PubChem CID 62770643) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
PubChem CID62770643
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
SMILESCNC(C)(CCn1cc(-c2ccccc2)cn1)C(=O)OC
InChIInChI=1S/C16H21N3O2/c1-16(17-2,15(20)21-3)9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyZVUKYPPXOUCHMT-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
(2R)-2-methyl-2-methylsulfonyl-4-(4-phenylpyrazol-1-yl)butanoic acid
CID 70817707
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171
methyl 2-(methylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoate
CID 116694011
2-(ethylamino)-2-methyl-4-(4-phenylpyrazol-1-yl)butanenitrile
CID 62769745
(2R)-2-methyl-2-methylsulfonyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 175283296
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2-cyclopropyl-2-(methylamino)-3-(4-phenylpyrazol-1-yl)propanoic acid
CID 63919519
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
4-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]aniline
CID 103033697

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate (CID 62770643) is methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate is CNC(C)(CCn1cc(-c2ccccc2)cn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate?
The InChIKey is ZVUKYPPXOUCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(17-2,15(20)21-3)9-10-19-12-14(11-18-19)13-7-5-4-6-8-13/h4-8,11-12,17H,9-10H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate?
methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate has a molecular weight of 287.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate is sourced from PubChem (CID 62770643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).