(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

C17H22N4O2 — CID 129466083

IUPAC(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@]1(C(=O)NCc2ccccc2-n2cccn2)CCNC1
InChIInChI=1S/C17H22N4O2/c1-23-13-17(7-9-18-12-17)16(22)19-11-14-5-2-3-6-15(14)21-10-4-8-20-21/h2-6,8,10,18H,7,9,11-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIUPPXOXLHBLICD-KRWDZBQOSA-N
MW314.39 g/mol
LogP1.11
Rot. Bonds6

About (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 129466083) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID129466083
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@]1(C(=O)NCc2ccccc2-n2cccn2)CCNC1
InChIInChI=1S/C17H22N4O2/c1-23-13-17(7-9-18-12-17)16(22)19-11-14-5-2-3-6-15(14)21-10-4-8-20-21/h2-6,8,10,18H,7,9,11-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIUPPXOXLHBLICD-KRWDZBQOSA-N
XLogP1.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 129466083) is (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is COC[C@]1(C(=O)NCc2ccccc2-n2cccn2)CCNC1.
What is the InChIKey of (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is IUPPXOXLHBLICD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-13-17(7-9-18-12-17)16(22)19-11-14-5-2-3-6-15(14)21-10-4-8-20-21/h2-6,8,10,18H,7,9,11-13H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 129466083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).