5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide

C22H22FN5O3 — CID 24620569

IUPAC5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c23-16-3-1-15(2-4-16)21-19(13-24-27-21)22(30)26-18-7-5-17(6-8-18)25-20(29)14-28-9-11-31-12-10-28/h1-8,13H,9-12,14H2,(H,24,27)(H,25,29)(H,26,30)
InChIKeyWFHXNADXXLZZFU-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.74
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 24620569) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID24620569
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c23-16-3-1-15(2-4-16)21-19(13-24-27-21)22(30)26-18-7-5-17(6-8-18)25-20(29)14-28-9-11-31-12-10-28/h1-8,13H,9-12,14H2,(H,24,27)(H,25,29)(H,26,30)
InChIKeyWFHXNADXXLZZFU-UHFFFAOYSA-N
XLogP2.74
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43054134
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 52673868
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24682859

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide (CID 24620569) is 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WFHXNADXXLZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-16-3-1-15(2-4-16)21-19(13-24-27-21)22(30)26-18-7-5-17(6-8-18)25-20(29)14-28-9-11-31-12-10-28/h1-8,13H,9-12,14H2,(H,24,27)(H,25,29)(H,26,30).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24620569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).