(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide

C18H23N3O2 — CID 51725560

IUPAC(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-13-12-14(2)21(20-13)16-7-5-15(6-8-16)9-10-19-18(22)17-4-3-11-23-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeySFTWBECHYMARBV-KRWDZBQOSA-N
MW313.40 g/mol
LogP2.33
Rot. Bonds5

About (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide

(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide (PubChem CID 51725560) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
PubChem CID51725560
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-13-12-14(2)21(20-13)16-7-5-15(6-8-16)9-10-19-18(22)17-4-3-11-23-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeySFTWBECHYMARBV-KRWDZBQOSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55723831
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
4-cyano-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 48957771
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790725
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide (CID 51725560) is (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide is Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CCCO3)cc2)n1.
What is the InChIKey of (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
The InChIKey is SFTWBECHYMARBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-12-14(2)21(20-13)16-7-5-15(6-8-16)9-10-19-18(22)17-4-3-11-23-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide?
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 51725560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).