(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C17H23N5O2 — CID 97064402

IUPAC(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCn1nc(C)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-4-22-13(3)16(12(2)20-22)19-17(23)21-9-7-15(11-21)24-14-6-5-8-18-10-14/h5-6,8,10,15H,4,7,9,11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyWLEVNTIGCLMCAB-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.60
Rot. Bonds4

About (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97064402) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97064402
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCn1nc(C)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-4-22-13(3)16(12(2)20-22)19-17(23)21-9-7-15(11-21)24-14-6-5-8-18-10-14/h5-6,8,10,15H,4,7,9,11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyWLEVNTIGCLMCAB-OAHLLOKOSA-N
XLogP2.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227478
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97059507

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97064402) is (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is CCn1nc(C)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1C.
What is the InChIKey of (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is WLEVNTIGCLMCAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-22-13(3)16(12(2)20-22)19-17(23)21-9-7-15(11-21)24-14-6-5-8-18-10-14/h5-6,8,10,15H,4,7,9,11H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97064402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).