N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide

C13H15FN4O — CID 63359488

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C13H15FN4O/c1-18-12(4-5-17-18)13(19)16-8-10-3-2-9(7-15)6-11(10)14/h2-6H,7-8,15H2,1H3,(H,16,19)
InChIKeyXEXWFCYGTGFBNJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.95
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 63359488) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID63359488
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C13H15FN4O/c1-18-12(4-5-17-18)13(19)16-8-10-3-2-9(7-15)6-11(10)14/h2-6H,7-8,15H2,1H3,(H,16,19)
InChIKeyXEXWFCYGTGFBNJ-UHFFFAOYSA-N
XLogP0.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801076
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
CID 136525744
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide (CID 63359488) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1ccc(CN)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XEXWFCYGTGFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-18-12(4-5-17-18)13(19)16-8-10-3-2-9(7-15)6-11(10)14/h2-6H,7-8,15H2,1H3,(H,16,19).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 0.95, 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]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 63359488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).