N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

C16H23N5O2 — CID 129003486

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1
InChIInChI=1S/C16H23N5O2/c1-11-8-18-21(10-11)6-4-15(22)19-14-5-7-23-16(14)13-9-17-20(3)12(13)2/h8-10,14,16H,4-7H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyWGZZBSBYYUHGIU-GOEBONIOSA-N
MW317.39 g/mol
LogP1.27
Rot. Bonds5

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 129003486) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID129003486
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1
InChIInChI=1S/C16H23N5O2/c1-11-8-18-21(10-11)6-4-15(22)19-14-5-7-23-16(14)13-9-17-20(3)12(13)2/h8-10,14,16H,4-7H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyWGZZBSBYYUHGIU-GOEBONIOSA-N
XLogP1.27
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (CID 129003486) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is WGZZBSBYYUHGIU-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-8-18-21(10-11)6-4-15(22)19-14-5-7-23-16(14)13-9-17-20(3)12(13)2/h8-10,14,16H,4-7H2,1-3H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 129003486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).