[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid

C11H9FN4O3 — CID 91043699

IUPAC[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
SMILESNC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1
InChIInChI=1S/C11H9FN4O3/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17)(H,18,19)
InChIKeyWVLCMKLRSNOYPJ-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.20
Rot. Bonds3

About [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid

[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid (PubChem CID 91043699) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
PubChem CID91043699
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
SMILESNC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1
InChIInChI=1S/C11H9FN4O3/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17)(H,18,19)
InChIKeyWVLCMKLRSNOYPJ-UHFFFAOYSA-N
XLogP1.20
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid;(2Z,4Z,6E)-octa-2,4,6-triene
CID 142276567
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
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
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
CID 64780820
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-2-methoxy-3-phenylprop-2-enamide
CID 154792704
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082

Frequently Asked Questions

What is the IUPAC name of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid?
The IUPAC name of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid (CID 91043699) is [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid.
What is the SMILES notation for [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid?
The canonical SMILES for [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid is NC(=O)c1cnn(-c2ccc(NC(=O)O)cc2F)c1.
What is the InChIKey of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid?
The InChIKey is WVLCMKLRSNOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c12-8-3-7(15-11(18)19)1-2-9(8)16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17)(H,18,19).
What are the key properties of [4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid?
[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid has a molecular weight of 264.22 g/mol, XLogP of 1.20, 3 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 is sourced from PubChem (CID 91043699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).