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

C19H20F3N5O — CID 164609760

IUPAC3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC(C)c2cn[nH]c2)c(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H20F3N5O/c1-10-15(6-13-4-5-16(23-7-13)19(20,21)22)12(3)26-17(10)18(28)27-11(2)14-8-24-25-9-14/h4-5,7-9,11,26H,6H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyVUOKDJNWNZNFLB-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.85
Rot. Bonds5

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

3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164609760) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164609760
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC(C)c2cn[nH]c2)c(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H20F3N5O/c1-10-15(6-13-4-5-16(23-7-13)19(20,21)22)12(3)26-17(10)18(28)27-11(2)14-8-24-25-9-14/h4-5,7-9,11,26H,6H2,1-3H3,(H,24,25)(H,27,28)
InChIKeyVUOKDJNWNZNFLB-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 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164609760) is 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC(C)c2cn[nH]c2)c(C)c1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VUOKDJNWNZNFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10-15(6-13-4-5-16(23-7-13)19(20,21)22)12(3)26-17(10)18(28)27-11(2)14-8-24-25-9-14/h4-5,7-9,11,26H,6H2,1-3H3,(H,24,25)(H,27,28).
What are the key properties of 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-[1-(1H-pyrazol-4-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 3,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164609760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).