N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C14H14FN5O — CID 131898907

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1C
InChIInChI=1S/C14H14FN5O/c1-8-5-12(19-20(8)2)14(21)16-7-13-17-10-4-3-9(15)6-11(10)18-13/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyMYEHKANDJNCQHK-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.67
Rot. Bonds3

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 131898907) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID131898907
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1C
InChIInChI=1S/C14H14FN5O/c1-8-5-12(19-20(8)2)14(21)16-7-13-17-10-4-3-9(15)6-11(10)18-13/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyMYEHKANDJNCQHK-UHFFFAOYSA-N
XLogP1.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985250
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 131898907) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1C.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MYEHKANDJNCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-8-5-12(19-20(8)2)14(21)16-7-13-17-10-4-3-9(15)6-11(10)18-13/h3-6H,7H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 131898907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).