2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C19H19ClN4O — CID 137425509

IUPAC2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-21-18(14-4-3-5-16(20)10-14)19(25)24-17-8-6-13(7-9-17)15-11-22-23-12-15/h3-12,18,21H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyUIVCXEBIBNUFRW-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425509) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425509
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-2-21-18(14-4-3-5-16(20)10-14)19(25)24-17-8-6-13(7-9-17)15-11-22-23-12-15/h3-12,18,21H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyUIVCXEBIBNUFRW-UHFFFAOYSA-N
XLogP4.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425509) is 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is UIVCXEBIBNUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-21-18(14-4-3-5-16(20)10-14)19(25)24-17-8-6-13(7-9-17)15-11-22-23-12-15/h3-12,18,21H,2H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(ethylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).