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

C17H16F3N5O — CID 164623880

IUPAC3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C17H16F3N5O/c1-10-12(6-11-2-3-14(21-7-11)17(18,19)20)8-22-15(10)16(26)23-9-13-4-5-24-25-13/h2-5,7-8,22H,6,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyAFBKFMWKRZJIIW-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.98
Rot. Bonds5

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

3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164623880) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164623880
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C17H16F3N5O/c1-10-12(6-11-2-3-14(21-7-11)17(18,19)20)8-22-15(10)16(26)23-9-13-4-5-24-25-13/h2-5,7-8,22H,6,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyAFBKFMWKRZJIIW-UHFFFAOYSA-N
XLogP2.98
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164623880) is 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AFBKFMWKRZJIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-10-12(6-11-2-3-14(21-7-11)17(18,19)20)8-22-15(10)16(26)23-9-13-4-5-24-25-13/h2-5,7-8,22H,6,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164623880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).