2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C16H22ClN5O — CID 71855099

IUPAC2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(Cl)c2NC(C)C)n(C)n1
InChIInChI=1S/C16H22ClN5O/c1-10(2)19-16-12(17)6-5-7-13(16)18-9-15(23)20-14-8-11(3)21-22(14)4/h5-8,10,18-19H,9H2,1-4H3,(H,20,23)
InChIKeyQRFCJJPFRFOMDO-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.25
Rot. Bonds6

About 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 71855099) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID71855099
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(Cl)c2NC(C)C)n(C)n1
InChIInChI=1S/C16H22ClN5O/c1-10(2)19-16-12(17)6-5-7-13(16)18-9-15(23)20-14-8-11(3)21-22(14)4/h5-8,10,18-19H,9H2,1-4H3,(H,20,23)
InChIKeyQRFCJJPFRFOMDO-UHFFFAOYSA-N
XLogP3.25
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 75377944
4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 71922694
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693
N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide
CID 84598284
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 78828634
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
2-(2,4-dibromoanilino)-N-(2,6-dichlorophenyl)acetamide
CID 60687966
2-(2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 42069816

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 71855099) is 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CNc2cccc(Cl)c2NC(C)C)n(C)n1.
What is the InChIKey of 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is QRFCJJPFRFOMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-10(2)19-16-12(17)6-5-7-13(16)18-9-15(23)20-14-8-11(3)21-22(14)4/h5-8,10,18-19H,9H2,1-4H3,(H,20,23).
What are the key properties of 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).