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

C18H18F3N5O — CID 164618126

IUPAC3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)c1ccn[nH]1
InChIInChI=1S/C18H18F3N5O/c1-10-13(7-12-3-4-15(22-8-12)18(19,20)21)9-23-16(10)17(27)25-11(2)14-5-6-24-26-14/h3-6,8-9,11,23H,7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRUSUQMUFTIPXNY-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.54
Rot. Bonds5

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

3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164618126) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164618126
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)c1ccn[nH]1
InChIInChI=1S/C18H18F3N5O/c1-10-13(7-12-3-4-15(22-8-12)18(19,20)21)9-23-16(10)17(27)25-11(2)14-5-6-24-26-14/h3-6,8-9,11,23H,7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRUSUQMUFTIPXNY-UHFFFAOYSA-N
XLogP3.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164618126) is 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)c1ccn[nH]1.
What is the InChIKey of 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RUSUQMUFTIPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-10-13(7-12-3-4-15(22-8-12)18(19,20)21)9-23-16(10)17(27)25-11(2)14-5-6-24-26-14/h3-6,8-9,11,23H,7H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164618126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).