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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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684

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).