(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

C17H24N6O2 — CID 99710686

IUPAC(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1
InChIInChI=1S/C17H24N6O2/c24-17(22-7-1-2-15(22)11-21-8-6-18-13-21)20-16-3-5-19-23(16)10-14-4-9-25-12-14/h3,5-6,8,13-15H,1-2,4,7,9-12H2,(H,20,24)/t14-,15-/m0/s1
InChIKeyRWFRDKLDIKJXKG-GJZGRUSLSA-N
MW344.42 g/mol
LogP1.81
Rot. Bonds5

About (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 99710686) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID99710686
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1
InChIInChI=1S/C17H24N6O2/c24-17(22-7-1-2-15(22)11-21-8-6-18-13-21)20-16-3-5-19-23(16)10-14-4-9-25-12-14/h3,5-6,8,13-15H,1-2,4,7,9-12H2,(H,20,24)/t14-,15-/m0/s1
InChIKeyRWFRDKLDIKJXKG-GJZGRUSLSA-N
XLogP1.81
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 99710686) is (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnc1.
What is the InChIKey of (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is RWFRDKLDIKJXKG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-17(22-7-1-2-15(22)11-21-8-6-18-13-21)20-16-3-5-19-23(16)10-14-4-9-25-12-14/h3,5-6,8,13-15H,1-2,4,7,9-12H2,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99710686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).