1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H22F3N5O — CID 167939837

IUPAC1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3)C2)c2c1CNCC2
InChIInChI=1S/C19H22F3N5O/c1-26-16-10-23-8-6-15(16)17(25-26)18(28)24-13-7-9-27(11-13)14-4-2-12(3-5-14)19(20,21)22/h2-5,13,23H,6-11H2,1H3,(H,24,28)
InChIKeyDTVFQNBLUKHJBJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.09
Rot. Bonds3

About 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 167939837) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID167939837
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3)C2)c2c1CNCC2
InChIInChI=1S/C19H22F3N5O/c1-26-16-10-23-8-6-15(16)17(25-26)18(28)24-13-7-9-27(11-13)14-4-2-12(3-5-14)19(20,21)22/h2-5,13,23H,6-11H2,1H3,(H,24,28)
InChIKeyDTVFQNBLUKHJBJ-UHFFFAOYSA-N
XLogP2.09
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 167939837) is 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3)C2)c2c1CNCC2.
What is the InChIKey of 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is DTVFQNBLUKHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-26-16-10-23-8-6-15(16)17(25-26)18(28)24-13-7-9-27(11-13)14-4-2-12(3-5-14)19(20,21)22/h2-5,13,23H,6-11H2,1H3,(H,24,28).
What are the key properties of 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 167939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).