N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C20H18F2N4O2 — CID 47076397

IUPACN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C(CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c21-15-5-1-12(2-6-15)9-14(19(23)27)11-24-20(28)18-10-17(25-26-18)13-3-7-16(22)8-4-13/h1-8,10,14H,9,11H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeySZWRVBLOPUPUBP-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.43
Rot. Bonds7

About N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 47076397) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID47076397
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C(CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c21-15-5-1-12(2-6-15)9-14(19(23)27)11-24-20(28)18-10-17(25-26-18)13-3-7-16(22)8-4-13/h1-8,10,14H,9,11H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeySZWRVBLOPUPUBP-UHFFFAOYSA-N
XLogP2.43
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 95137289
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56821703
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
CID 56800017
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 47076397) is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)C(CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SZWRVBLOPUPUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-15-5-1-12(2-6-15)9-14(19(23)27)11-24-20(28)18-10-17(25-26-18)13-3-7-16(22)8-4-13/h1-8,10,14H,9,11H2,(H2,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47076397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).