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

C19H20F3N5O — CID 164616371

IUPAC3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)n[nH]1
InChIInChI=1S/C19H20F3N5O/c1-10-6-15(27-26-10)12(3)25-18(28)17-11(2)14(9-24-17)7-13-4-5-16(23-8-13)19(20,21)22/h4-6,8-9,12,24H,7H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPHURZDNOYNTJDZ-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.85
Rot. Bonds5

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

3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164616371) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164616371
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)n[nH]1
InChIInChI=1S/C19H20F3N5O/c1-10-6-15(27-26-10)12(3)25-18(28)17-11(2)14(9-24-17)7-13-4-5-16(23-8-13)19(20,21)22/h4-6,8-9,12,24H,7H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyPHURZDNOYNTJDZ-UHFFFAOYSA-N
XLogP3.85
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.85
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-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164616371) is 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1cc(C(C)NC(=O)c2[nH]cc(Cc3ccc(C(F)(F)F)nc3)c2C)n[nH]1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PHURZDNOYNTJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10-6-15(27-26-10)12(3)25-18(28)17-11(2)14(9-24-17)7-13-4-5-16(23-8-13)19(20,21)22/h4-6,8-9,12,24H,7H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.85, 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-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164616371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).