N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide

C19H19FN4O — CID 156562830

IUPACN-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESNCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H19FN4O/c20-18-7-1-14(2-8-18)13-24(10-9-21)19(25)16-5-3-15(4-6-16)17-11-22-23-12-17/h1-8,11-12H,9-10,13,21H2,(H,22,23)
InChIKeyAVPPHRGAVXSSMY-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.82
Rot. Bonds6

About N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide

N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 156562830) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID156562830
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESNCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H19FN4O/c20-18-7-1-14(2-8-18)13-24(10-9-21)19(25)16-5-3-15(4-6-16)17-11-22-23-12-17/h1-8,11-12H,9-10,13,21H2,(H,22,23)
InChIKeyAVPPHRGAVXSSMY-UHFFFAOYSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-(2-aminoethyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
CID 175385213
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68727708
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
N-[2-(cyclobutanecarbonylamino)ethyl]-N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 139014548

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide (CID 156562830) is N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide is NCCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is AVPPHRGAVXSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-18-7-1-14(2-8-18)13-24(10-9-21)19(25)16-5-3-15(4-6-16)17-11-22-23-12-17/h1-8,11-12H,9-10,13,21H2,(H,22,23).
What are the key properties of N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide?
N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 156562830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).