3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

C19H19FN4O2 — CID 46947943

IUPAC3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)[nH]n1
InChIInChI=1S/C19H19FN4O2/c1-12(2)26-18-8-14(20)5-6-15(18)16-9-17(24-23-16)19(25)22-11-13-4-3-7-21-10-13/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGODRSMRPDDKYBP-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.33
Rot. Bonds6

About 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46947943) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46947943
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)[nH]n1
InChIInChI=1S/C19H19FN4O2/c1-12(2)26-18-8-14(20)5-6-15(18)16-9-17(24-23-16)19(25)22-11-13-4-3-7-21-10-13/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyGODRSMRPDDKYBP-UHFFFAOYSA-N
XLogP3.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46947943) is 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is CC(C)Oc1cc(F)ccc1-c1cc(C(=O)NCc2cccnc2)[nH]n1.
What is the InChIKey of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GODRSMRPDDKYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12(2)26-18-8-14(20)5-6-15(18)16-9-17(24-23-16)19(25)22-11-13-4-3-7-21-10-13/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46947943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).