(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C17H24N4O — CID 97193399

IUPAC(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)N(C)Cc1cnn(C)c1)N(C)C
InChIInChI=1S/C17H24N4O/c1-13-8-6-7-9-15(13)16(19(2)3)17(22)20(4)11-14-10-18-21(5)12-14/h6-10,12,16H,11H2,1-5H3/t16-/m1/s1
InChIKeyAWJNOQPDUCBEBT-MRXNPFEDSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds5

About (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 97193399) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID97193399
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccccc1[C@H](C(=O)N(C)Cc1cnn(C)c1)N(C)C
InChIInChI=1S/C17H24N4O/c1-13-8-6-7-9-15(13)16(19(2)3)17(22)20(4)11-14-10-18-21(5)12-14/h6-10,12,16H,11H2,1-5H3/t16-/m1/s1
InChIKeyAWJNOQPDUCBEBT-MRXNPFEDSA-N
XLogP1.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638
2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 97193399) is (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cc1ccccc1[C@H](C(=O)N(C)Cc1cnn(C)c1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is AWJNOQPDUCBEBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-8-6-7-9-15(13)16(19(2)3)17(22)20(4)11-14-10-18-21(5)12-14/h6-10,12,16H,11H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 300.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 97193399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).