[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene

C19H21FN4O3 — CID 142276567

IUPAC[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene
SMILESC/C=C\C=C/C=C/C.NC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1
InChIInChI=1S/C11H9FN4O3.C8H12/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17;1-3-5-7-8-6-4-2/h1-5,15H,(H2,13,17)(H,18,19);3-8H,1-2H3/b;5-3-,6-4+,8-7-
InChIKeyUAPUXVRRAWOBEO-XTFHDSCWSA-N
MW372.40 g/mol
LogP3.89
Rot. Bonds5

About [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene

[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene (PubChem CID 142276567) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene.

Molecular Properties

Compound Name[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene
PubChem CID142276567
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene
SMILESC/C=C\C=C/C=C/C.NC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1
InChIInChI=1S/C11H9FN4O3.C8H12/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17;1-3-5-7-8-6-4-2/h1-5,15H,(H2,13,17)(H,18,19);3-8H,1-2H3/b;5-3-,6-4+,8-7-
InChIKeyUAPUXVRRAWOBEO-XTFHDSCWSA-N
XLogP3.89
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
CID 91043699
1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
CID 64782907
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437782
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
CID 154792704
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
1-(5-formyl-2-methylphenyl)pyrazole-4-carboxamide
CID 105405310
3-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylurea
CID 126794238
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623

Frequently Asked Questions

What is the IUPAC name of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene?
The IUPAC name of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene (CID 142276567) is [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene.
What is the SMILES notation for [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene?
The canonical SMILES for [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene is C/C=C\C=C/C=C/C.NC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1.
What is the InChIKey of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene?
The InChIKey is UAPUXVRRAWOBEO-XTFHDSCWSA-N. The full InChI is InChI=1S/C11H9FN4O3.C8H12/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17;1-3-5-7-8-6-4-2/h1-5,15H,(H2,13,17)(H,18,19);3-8H,1-2H3/b;5-3-,6-4+,8-7-.
What are the key properties of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene?
[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene has a molecular weight of 372.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene is sourced from PubChem (CID 142276567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).