4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide

C11H10FN3O — CID 175706112

IUPAC4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-2-8(5-10)4-9-6-14-15(7-9)11(13)16/h1-3,5-7H,4H2,(H2,13,16)
InChIKeyYBBUQLMKUIMYSF-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.54
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide

4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 175706112) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID175706112
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Cc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-2-8(5-10)4-9-6-14-15(7-9)11(13)16/h1-3,5-7H,4H2,(H2,13,16)
InChIKeyYBBUQLMKUIMYSF-UHFFFAOYSA-N
XLogP1.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]diazepin-3-yl]pyrazole-1-carboxamide
CID 175369958
N-(7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 155794564
N-[(3S)-5,7-dimethyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 158200139
4-[(3-fluorophenyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[4,3-b][1,4]oxazepin-3-yl]pyrazole-1-carboxamide
CID 155794610
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
4-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 175689187
1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide
CID 155600343

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 175706112) is 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide is NC(=O)n1cc(Cc2cccc(F)c2)cn1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is YBBUQLMKUIMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-10-3-1-2-8(5-10)4-9-6-14-15(7-9)11(13)16/h1-3,5-7H,4H2,(H2,13,16).
What are the key properties of 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 175706112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).