1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H21FN4O2 — CID 47081624

IUPAC1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCCCN(C)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H21FN4O2/c1-22(10-7-13-26-2)19(25)15-14-21-24(17-9-4-3-8-16(17)20)18(15)23-11-5-6-12-23/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
InChIKeyILIZGNMJGOPKQE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.91
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 47081624) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID47081624
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCCCN(C)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H21FN4O2/c1-22(10-7-13-26-2)19(25)15-14-21-24(17-9-4-3-8-16(17)20)18(15)23-11-5-6-12-23/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
InChIKeyILIZGNMJGOPKQE-UHFFFAOYSA-N
XLogP2.91
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
1-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46597693
2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55582276
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 47081624) is 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is COCCCN(C)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ILIZGNMJGOPKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-22(10-7-13-26-2)19(25)15-14-21-24(17-9-4-3-8-16(17)20)18(15)23-11-5-6-12-23/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47081624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).