1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide

C9H13FN4O — CID 163927785

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C/C(=C/F)CN)n1
InChIInChI=1S/C9H13FN4O/c1-12-9(15)8-2-3-14(13-8)6-7(4-10)5-11/h2-4H,5-6,11H2,1H3,(H,12,15)/b7-4+
InChIKeyRFZOGENLFDFNPH-QPJJXVBHSA-N
MW212.23 g/mol
LogP0.05
Rot. Bonds4

About 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide (PubChem CID 163927785) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide
PubChem CID163927785
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C/C(=C/F)CN)n1
InChIInChI=1S/C9H13FN4O/c1-12-9(15)8-2-3-14(13-8)6-7(4-10)5-11/h2-4H,5-6,11H2,1H3,(H,12,15)/b7-4+
InChIKeyRFZOGENLFDFNPH-QPJJXVBHSA-N
XLogP0.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrazole-3-carboxamide
CID 154637391
[2-[[3-(tert-butylcarbamoyl)pyrazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate
CID 175038341
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
methyl 2-bromo-3-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
CID 81099400
2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
CID 115461220
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
CID 154637350
2-[4-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]propanoic acid
CID 105345457
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,3-c]pyridin-4-one;hydrochloride
CID 154637483
1-[2-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 114879828
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
ethyl 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoate
CID 64777790
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide (CID 163927785) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(C/C(=C/F)CN)n1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is RFZOGENLFDFNPH-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-12-9(15)8-2-3-14(13-8)6-7(4-10)5-11/h2-4H,5-6,11H2,1H3,(H,12,15)/b7-4+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 212.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 163927785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).