2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide

C16H21ClN4O — CID 51098586

IUPAC2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-12(2)21(11-13-8-19-20(3)10-13)16(22)9-18-15-7-5-4-6-14(15)17/h4-8,10,12,18H,9,11H2,1-3H3
InChIKeySWTJWVGJGNBHJQ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.92
Rot. Bonds6

About 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide

2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 51098586) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
PubChem CID51098586
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-12(2)21(11-13-8-19-20(3)10-13)16(22)9-18-15-7-5-4-6-14(15)17/h4-8,10,12,18H,9,11H2,1-3H3
InChIKeySWTJWVGJGNBHJQ-UHFFFAOYSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
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CID 94636625
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
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N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 112995074
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31846058
2-(3-methyl-1,2-oxazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 56743144
N-methyl-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
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5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 55978226
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (CID 51098586) is 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cnn(C)c1)C(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is SWTJWVGJGNBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-12(2)21(11-13-8-19-20(3)10-13)16(22)9-18-15-7-5-4-6-14(15)17/h4-8,10,12,18H,9,11H2,1-3H3.
What are the key properties of 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 320.82 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51098586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).