N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

C15H14FN5O — CID 19285035

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H14FN5O/c1-20-10-12(8-17-20)15(22)18-14-6-7-21(19-14)9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,22)
InChIKeyFSQPTMXQDWAHHC-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.06
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 19285035) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID19285035
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H14FN5O/c1-20-10-12(8-17-20)15(22)18-14-6-7-21(19-14)9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,22)
InChIKeyFSQPTMXQDWAHHC-UHFFFAOYSA-N
XLogP2.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 19285035) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FSQPTMXQDWAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-20-10-12(8-17-20)15(22)18-14-6-7-21(19-14)9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,22).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19285035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).