(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C17H27N5O2 — CID 96567739

IUPAC(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C17H27N5O2/c23-17(21-8-5-15(12-21)20-6-1-2-7-20)19-14-10-18-22(11-14)13-16-4-3-9-24-16/h10-11,15-16H,1-9,12-13H2,(H,19,23)/t15-,16-/m0/s1
InChIKeyAFGAUHMIWLFVEI-HOTGVXAUSA-N
MW333.44 g/mol
LogP1.76
Rot. Bonds4

About (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 96567739) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID96567739
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C17H27N5O2/c23-17(21-8-5-15(12-21)20-6-1-2-7-20)19-14-10-18-22(11-14)13-16-4-3-9-24-16/h10-11,15-16H,1-9,12-13H2,(H,19,23)/t15-,16-/m0/s1
InChIKeyAFGAUHMIWLFVEI-HOTGVXAUSA-N
XLogP1.76
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 96567739) is (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is AFGAUHMIWLFVEI-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-17(21-8-5-15(12-21)20-6-1-2-7-20)19-14-10-18-22(11-14)13-16-4-3-9-24-16/h10-11,15-16H,1-9,12-13H2,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 96567739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).