N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

C18H23FN4O2 — CID 56749691

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(COc3ccccc3F)[nH]n2)C1
InChIInChI=1S/C18H23FN4O2/c1-18(7-8-23(2)12-18)11-20-17(24)15-9-13(21-22-15)10-25-16-6-4-3-5-14(16)19/h3-6,9H,7-8,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMUDDPUFKIBGDGT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.20
Rot. Bonds6

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56749691) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56749691
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(COc3ccccc3F)[nH]n2)C1
InChIInChI=1S/C18H23FN4O2/c1-18(7-8-23(2)12-18)11-20-17(24)15-9-13(21-22-15)10-25-16-6-4-3-5-14(16)19/h3-6,9H,7-8,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMUDDPUFKIBGDGT-UHFFFAOYSA-N
XLogP2.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (CID 56749691) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is CN1CCC(C)(CNC(=O)c2cc(COc3ccccc3F)[nH]n2)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MUDDPUFKIBGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-18(7-8-23(2)12-18)11-20-17(24)15-9-13(21-22-15)10-25-16-6-4-3-5-14(16)19/h3-6,9H,7-8,10-12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56749691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).