(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide

C16H22N4O — CID 95208811

IUPAC(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
SMILESC[C@H](C(=O)N(C)C)N(C)Cc1ccnn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-15-10-11-17-20(15)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3/t13-/m1/s1
InChIKeyFTVXPVDXMFAPMJ-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.78
Rot. Bonds5

About (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide

(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide (PubChem CID 95208811) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
PubChem CID95208811
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
SMILESC[C@H](C(=O)N(C)C)N(C)Cc1ccnn1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-15-10-11-17-20(15)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3/t13-/m1/s1
InChIKeyFTVXPVDXMFAPMJ-CYBMUJFWSA-N
XLogP1.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide
CID 50973005
1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea
CID 155954557
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225151
(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride
CID 120840429
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
5-benzyl-1-phenylpyrazole
CID 14003889
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide (CID 95208811) is (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide is C[C@H](C(=O)N(C)C)N(C)Cc1ccnn1-c1ccccc1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide?
The InChIKey is FTVXPVDXMFAPMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-15-10-11-17-20(15)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide?
(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 95208811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).