N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide

C19H18FN3O3 — CID 19399965

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c(OC)c1
InChIInChI=1S/C19H18FN3O3/c1-25-15-7-8-16(18(9-15)26-2)19(24)22-14-10-21-23(12-14)11-13-5-3-4-6-17(13)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyBULAXRRVZDSDTJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.34
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide (PubChem CID 19399965) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
PubChem CID19399965
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c(OC)c1
InChIInChI=1S/C19H18FN3O3/c1-25-15-7-8-16(18(9-15)26-2)19(24)22-14-10-21-23(12-14)11-13-5-3-4-6-17(13)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyBULAXRRVZDSDTJ-UHFFFAOYSA-N
XLogP3.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 40715877
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
6-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824825
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493100
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide (CID 19399965) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c(OC)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide?
The InChIKey is BULAXRRVZDSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-15-7-8-16(18(9-15)26-2)19(24)22-14-10-21-23(12-14)11-13-5-3-4-6-17(13)20/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide has a molecular weight of 355.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 19399965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).