N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

C16H25N3O3 — CID 164641778

IUPACN-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COC(C)(C)C2)n(C2CCOCC2)n1
InChIInChI=1S/C16H25N3O3/c1-11-8-14(19(18-11)13-4-6-21-7-5-13)15(20)17-12-9-16(2,3)22-10-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyUMBRPDSDCBUMOU-LBPRGKRZSA-N
MW307.39 g/mol
LogP1.84
Rot. Bonds3

About N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 164641778) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID164641778
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COC(C)(C)C2)n(C2CCOCC2)n1
InChIInChI=1S/C16H25N3O3/c1-11-8-14(19(18-11)13-4-6-21-7-5-13)15(20)17-12-9-16(2,3)22-10-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyUMBRPDSDCBUMOU-LBPRGKRZSA-N
XLogP1.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (CID 164641778) is N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2COC(C)(C)C2)n(C2CCOCC2)n1.
What is the InChIKey of N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is UMBRPDSDCBUMOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-8-14(19(18-11)13-4-6-21-7-5-13)15(20)17-12-9-16(2,3)22-10-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,5-dimethyloxolan-3-yl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 164641778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).