[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid

C10H13FN4O3 — CID 154983836

IUPAC[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid
SMILESCNC(=O)c1cnn(CC(=CF)CNC(=O)O)c1
InChIInChI=1S/C10H13FN4O3/c1-12-9(16)8-4-14-15(6-8)5-7(2-11)3-13-10(17)18/h2,4,6,13H,3,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyOFRFIXSFRYGDKA-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.36
Rot. Bonds5

About [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid

[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid (PubChem CID 154983836) has the molecular formula C10H13FN4O3 and a molecular weight of 256.24 g/mol. Its IUPAC name is [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid
PubChem CID154983836
Molecular FormulaC10H13FN4O3
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid
SMILESCNC(=O)c1cnn(CC(=CF)CNC(=O)O)c1
InChIInChI=1S/C10H13FN4O3/c1-12-9(16)8-4-14-15(6-8)5-7(2-11)3-13-10(17)18/h2,4,6,13H,3,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyOFRFIXSFRYGDKA-UHFFFAOYSA-N
XLogP0.36
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
1-ethyl-1H-pyrazole-4-carboxamide
CID 22456653
1-Propyl-1h-pyrazole-4-carboxamide
CID 53845262
1-isobutyl-1H-pyrazole-4-carboxamide
CID 58125107
1-Butyl-1h-pyrazole-4-carboxamide
CID 129840483
[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone
CID 19583899
ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate
CID 38482795
[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 40646463
1-methyl-N,N-dipropylpyrazole-4-carboxamide
CID 51073390
[(6S)-6-fluoro-6-methyl-1,4-diazepan-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 164631675
N-(difluoromethyl)-1-prop-2-enylpyrazole-4-carboxamide
CID 57217965

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid?
The IUPAC name of [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid (CID 154983836) is [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid is CNC(=O)c1cnn(CC(=CF)CNC(=O)O)c1.
What is the InChIKey of [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid?
The InChIKey is OFRFIXSFRYGDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O3/c1-12-9(16)8-4-14-15(6-8)5-7(2-11)3-13-10(17)18/h2,4,6,13H,3,5H2,1H3,(H,12,16)(H,17,18).
What are the key properties of [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid?
[3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid has a molecular weight of 256.24 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[[4-(methylcarbamoyl)pyrazol-1-yl]methyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 154983836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).