(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide

C14H20N4O2 — CID 164636913

IUPAC(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cn(C)nc2C2CC2)C1
InChIInChI=1S/C14H20N4O2/c1-15-13(19)10-5-6-18(7-10)14(20)11-8-17(2)16-12(11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyRIYJZUUHSCYAFJ-JTQLQIEISA-N
MW276.34 g/mol
LogP0.51
Rot. Bonds3

About (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide

(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 164636913) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID164636913
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cn(C)nc2C2CC2)C1
InChIInChI=1S/C14H20N4O2/c1-15-13(19)10-5-6-18(7-10)14(20)11-8-17(2)16-12(11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyRIYJZUUHSCYAFJ-JTQLQIEISA-N
XLogP0.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide (CID 164636913) is (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(C(=O)c2cn(C)nc2C2CC2)C1.
What is the InChIKey of (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is RIYJZUUHSCYAFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O2/c1-15-13(19)10-5-6-18(7-10)14(20)11-8-17(2)16-12(11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,19)/t10-/m0/s1.
What are the key properties of (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide?
(3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyclopropyl-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164636913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).