3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

C11H14FN5O2 — CID 169142125

IUPAC3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCC(F)COc1cc(C(=O)Nc2ccn[nH]2)n(C)n1
InChIInChI=1S/C11H14FN5O2/c1-7(12)6-19-10-5-8(17(2)16-10)11(18)14-9-3-4-13-15-9/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18)
InChIKeyNKJUMDDTVCERJK-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.13
Rot. Bonds5

About 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 169142125) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID169142125
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCC(F)COc1cc(C(=O)Nc2ccn[nH]2)n(C)n1
InChIInChI=1S/C11H14FN5O2/c1-7(12)6-19-10-5-8(17(2)16-10)11(18)14-9-3-4-13-15-9/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18)
InChIKeyNKJUMDDTVCERJK-UHFFFAOYSA-N
XLogP1.13
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (CID 169142125) is 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is CC(F)COc1cc(C(=O)Nc2ccn[nH]2)n(C)n1.
What is the InChIKey of 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is NKJUMDDTVCERJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-7(12)6-19-10-5-8(17(2)16-10)11(18)14-9-3-4-13-15-9/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18).
What are the key properties of 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 169142125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).