N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide

C17H23N5O2 — CID 135092936

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C17H23N5O2/c1-12-15(9-21(2)20-12)19-17(24)11-22-8-14(16(23)10-22)7-13-3-5-18-6-4-13/h3-6,9,14,16,23H,7-8,10-11H2,1-2H3,(H,19,24)/t14-,16-/m1/s1
InChIKeyXIWYNARVSFHFRS-GDBMZVCRSA-N
MW329.40 g/mol
LogP0.60
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 135092936) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID135092936
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C17H23N5O2/c1-12-15(9-21(2)20-12)19-17(24)11-22-8-14(16(23)10-22)7-13-3-5-18-6-4-13/h3-6,9,14,16,23H,7-8,10-11H2,1-2H3,(H,19,24)/t14-,16-/m1/s1
InChIKeyXIWYNARVSFHFRS-GDBMZVCRSA-N
XLogP0.60
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide (CID 135092936) is N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide is Cc1nn(C)cc1NC(=O)CN1C[C@@H](Cc2ccncc2)[C@H](O)C1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XIWYNARVSFHFRS-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-15(9-21(2)20-12)19-17(24)11-22-8-14(16(23)10-22)7-13-3-5-18-6-4-13/h3-6,9,14,16,23H,7-8,10-11H2,1-2H3,(H,19,24)/t14-,16-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 135092936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).