3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide

C21H17F3N6O — CID 118392500

IUPAC3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1cnn(-c2ccncc2NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1
InChIInChI=1S/C21H17F3N6O/c1-13-10-26-30(12-13)19-5-7-25-11-18(19)27-20(31)14-3-4-16(21(22,23)24)15(9-14)17-6-8-29(2)28-17/h3-12H,1-2H3,(H,27,31)
InChIKeyLNOUPHZXQTYYFY-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.25
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide

3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118392500) has the molecular formula C21H17F3N6O and a molecular weight of 426.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118392500
Molecular FormulaC21H17F3N6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC Name3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1cnn(-c2ccncc2NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1
InChIInChI=1S/C21H17F3N6O/c1-13-10-26-30(12-13)19-5-7-25-11-18(19)27-20(31)14-3-4-16(21(22,23)24)15(9-14)17-6-8-29(2)28-17/h3-12H,1-2H3,(H,27,31)
InChIKeyLNOUPHZXQTYYFY-UHFFFAOYSA-N
XLogP4.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118392500) is 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cc1cnn(-c2ccncc2NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LNOUPHZXQTYYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O/c1-13-10-26-30(12-13)19-5-7-25-11-18(19)27-20(31)14-3-4-16(21(22,23)24)15(9-14)17-6-8-29(2)28-17/h3-12H,1-2H3,(H,27,31).
What are the key properties of 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide?
3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 426.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).