N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C16H16FN5O — CID 5103701

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O/c1-11-13(10-21(2)19-11)16(23)18-15-7-8-22(20-15)9-12-5-3-4-6-14(12)17/h3-8,10H,9H2,1-2H3,(H,18,20,23)
InChIKeyVFYSISODHKOISZ-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.36
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 5103701) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID5103701
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O/c1-11-13(10-21(2)19-11)16(23)18-15-7-8-22(20-15)9-12-5-3-4-6-14(12)17/h3-8,10H,9H2,1-2H3,(H,18,20,23)
InChIKeyVFYSISODHKOISZ-UHFFFAOYSA-N
XLogP2.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 5103701) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccn(Cc2ccccc2F)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VFYSISODHKOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-11-13(10-21(2)19-11)16(23)18-15-7-8-22(20-15)9-12-5-3-4-6-14(12)17/h3-8,10H,9H2,1-2H3,(H,18,20,23).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 5103701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).