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

C14H17FN4O — CID 102801076

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN4O/c1-9-12(8-19(2)18-9)14(20)17-7-11-4-3-10(6-16)5-13(11)15/h3-5,8H,6-7,16H2,1-2H3,(H,17,20)
InChIKeyFWUSOYQHSLLFJU-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.26
Rot. Bonds4

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

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801076) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801076
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C14H17FN4O/c1-9-12(8-19(2)18-9)14(20)17-7-11-4-3-10(6-16)5-13(11)15/h3-5,8H,6-7,16H2,1-2H3,(H,17,20)
InChIKeyFWUSOYQHSLLFJU-UHFFFAOYSA-N
XLogP1.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 102801076) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCc1ccc(CN)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FWUSOYQHSLLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-12(8-19(2)18-9)14(20)17-7-11-4-3-10(6-16)5-13(11)15/h3-5,8H,6-7,16H2,1-2H3,(H,17,20).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).