N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C18H20FN5O2 — CID 56739273

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)cnn1C
InChIInChI=1S/C18H20FN5O2/c1-12-13(9-20-24(12)3)10-23(2)18(25)16-8-14(21-22-16)11-26-17-7-5-4-6-15(17)19/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyCMSIIIWVVGOOET-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.44
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56739273) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID56739273
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)cnn1C
InChIInChI=1S/C18H20FN5O2/c1-12-13(9-20-24(12)3)10-23(2)18(25)16-8-14(21-22-16)11-26-17-7-5-4-6-15(17)19/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyCMSIIIWVVGOOET-UHFFFAOYSA-N
XLogP2.44
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 56739273) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is Cc1c(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CMSIIIWVVGOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-12-13(9-20-24(12)3)10-23(2)18(25)16-8-14(21-22-16)11-26-17-7-5-4-6-15(17)19/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).