3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C20H22F3N5O — CID 164621934

IUPAC3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC(C)c2cnn(C)c2)c(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H22F3N5O/c1-11-16(7-14-5-6-17(24-8-14)20(21,22)23)13(3)26-18(11)19(29)27-12(2)15-9-25-28(4)10-15/h5-6,8-10,12,26H,7H2,1-4H3,(H,27,29)
InChIKeyGAIMUXFGKOHIPU-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.86
Rot. Bonds5

About 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164621934) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164621934
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC(C)c2cnn(C)c2)c(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H22F3N5O/c1-11-16(7-14-5-6-17(24-8-14)20(21,22)23)13(3)26-18(11)19(29)27-12(2)15-9-25-28(4)10-15/h5-6,8-10,12,26H,7H2,1-4H3,(H,27,29)
InChIKeyGAIMUXFGKOHIPU-UHFFFAOYSA-N
XLogP3.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164621934) is 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC(C)c2cnn(C)c2)c(C)c1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GAIMUXFGKOHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-11-16(7-14-5-6-17(24-8-14)20(21,22)23)13(3)26-18(11)19(29)27-12(2)15-9-25-28(4)10-15/h5-6,8-10,12,26H,7H2,1-4H3,(H,27,29).
What are the key properties of 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164621934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).