3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C11H11FN4O — CID 64524798

IUPAC3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2F)[nH]n1
InChIInChI=1S/C11H11FN4O/c12-8-4-2-1-3-7(8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16)
InChIKeyMYXPHQLHWRCTEX-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524798) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64524798
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2F)[nH]n1
InChIInChI=1S/C11H11FN4O/c12-8-4-2-1-3-7(8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16)
InChIKeyMYXPHQLHWRCTEX-UHFFFAOYSA-N
XLogP1.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 64524798) is 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2ccccc2F)[nH]n1.
What is the InChIKey of 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MYXPHQLHWRCTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-8-4-2-1-3-7(8)6-14-11(17)9-5-10(13)16-15-9/h1-5H,6H2,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).