N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide

C19H19FN4O — CID 90376322

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide
SMILESCNc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19FN4O/c1-12(13-3-6-16(20)7-4-13)24-19(25)14-5-8-17(18(9-14)21-2)15-10-22-23-11-15/h3-12,21H,1-2H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyLLNIEHLUBJMMPU-GFCCVEGCSA-N
MW338.39 g/mol
LogP3.75
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90376322) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90376322
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide
SMILESCNc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19FN4O/c1-12(13-3-6-16(20)7-4-13)24-19(25)14-5-8-17(18(9-14)21-2)15-10-22-23-11-15/h3-12,21H,1-2H3,(H,22,23)(H,24,25)/t12-/m1/s1
InChIKeyLLNIEHLUBJMMPU-GFCCVEGCSA-N
XLogP3.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide (CID 90376322) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide is CNc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is LLNIEHLUBJMMPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(13-3-6-16(20)7-4-13)24-19(25)14-5-8-17(18(9-14)21-2)15-10-22-23-11-15/h3-12,21H,1-2H3,(H,22,23)(H,24,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylamino)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90376322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).