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

C19H19FN4O — CID 137425585

IUPAC2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-2-21-18(14-3-7-16(20)8-4-14)19(25)24-17-9-5-13(6-10-17)15-11-22-23-12-15/h3-12,18,21H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyLQJAQFDQYJVSQK-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.51
Rot. Bonds6

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

2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425585) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425585
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-2-21-18(14-3-7-16(20)8-4-14)19(25)24-17-9-5-13(6-10-17)15-11-22-23-12-15/h3-12,18,21H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyLQJAQFDQYJVSQK-UHFFFAOYSA-N
XLogP3.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425551
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 153113467
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 158988611
3-amino-2-azido-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide;dihydrochloride
CID 156562844
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
benzyl N-[2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]carbamate;2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 160807430
1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 72872817

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425585) is 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is LQJAQFDQYJVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-2-21-18(14-3-7-16(20)8-4-14)19(25)24-17-9-5-13(6-10-17)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-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).