5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide

C16H15ClN6O — CID 99795820

IUPAC5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C16H15ClN6O/c1-2-18-14-5-4-11(17)8-13(14)15(24)22-12-9-21-23(10-12)16-19-6-3-7-20-16/h3-10,18H,2H2,1H3,(H,22,24)
InChIKeyHGHUKTMSFRSYDP-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide

5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide (PubChem CID 99795820) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide
PubChem CID99795820
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C16H15ClN6O/c1-2-18-14-5-4-11(17)8-13(14)15(24)22-12-9-21-23(10-12)16-19-6-3-7-20-16/h3-10,18H,2H2,1H3,(H,22,24)
InChIKeyHGHUKTMSFRSYDP-UHFFFAOYSA-N
XLogP3.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-2-(ethylamino)-N-(4-methyl-2-pyridinyl)benzamide
CID 62165937
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
CID 62166224
N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
CID 107578576
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95776857
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-2-(ethylamino)benzamide
CID 83167924
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide (CID 99795820) is 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide is CCNc1ccc(Cl)cc1C(=O)Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide?
The InChIKey is HGHUKTMSFRSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-2-18-14-5-4-11(17)8-13(14)15(24)22-12-9-21-23(10-12)16-19-6-3-7-20-16/h3-10,18H,2H2,1H3,(H,22,24).
What are the key properties of 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide?
5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 99795820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).