2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

C19H29N5O2 — CID 126794867

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H29N5O2/c1-12(2)10-24-14(4)16(13(3)22-24)8-18(25)21-17-6-7-26-19(17)15-9-20-23(5)11-15/h9,11-12,17,19H,6-8,10H2,1-5H3,(H,21,25)/t17-,19+/m0/s1
InChIKeyVUPSPLZQSSEYBL-PKOBYXMFSA-N
MW359.47 g/mol
LogP2.08
Rot. Bonds6

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 126794867) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID126794867
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H29N5O2/c1-12(2)10-24-14(4)16(13(3)22-24)8-18(25)21-17-6-7-26-19(17)15-9-20-23(5)11-15/h9,11-12,17,19H,6-8,10H2,1-5H3,(H,21,25)/t17-,19+/m0/s1
InChIKeyVUPSPLZQSSEYBL-PKOBYXMFSA-N
XLogP2.08
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 126794867) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is VUPSPLZQSSEYBL-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12(2)10-24-14(4)16(13(3)22-24)8-18(25)21-17-6-7-26-19(17)15-9-20-23(5)11-15/h9,11-12,17,19H,6-8,10H2,1-5H3,(H,21,25)/t17-,19+/m0/s1.
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126794867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).