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

C12H19N3O2 — CID 124875006

IUPAC(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCc1cc(CCNC(=O)[C@H]2CCOC2)nn1C
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-15(9)2)3-5-13-12(16)10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyFXQSKVFPNNYVLQ-JTQLQIEISA-N
MW237.30 g/mol
LogP0.42
Rot. Bonds4

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

(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide (PubChem CID 124875006) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
PubChem CID124875006
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCc1cc(CCNC(=O)[C@H]2CCOC2)nn1C
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-15(9)2)3-5-13-12(16)10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyFXQSKVFPNNYVLQ-JTQLQIEISA-N
XLogP0.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]tetrahydrofuran-3-carboxamide
CID 70749764
N-Cyclopropyl-1-[(1,3-dimethyl-1H-pyrazol-5-YL)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203741
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-3-ethoxypropanamide
CID 90648692
ethyl (3R,4R)-4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
CID 154618020
ethyl (3R)-4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
CID 154618029
Ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
CID 174336343
(3R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 8044145
(3S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 8044146
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)-2-methylpropanamide
CID 19540127
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 19540128
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 19564054
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)propanamide
CID 19564055

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide (CID 124875006) is (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide is Cc1cc(CCNC(=O)[C@H]2CCOC2)nn1C.
What is the InChIKey of (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is FXQSKVFPNNYVLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-11(14-15(9)2)3-5-13-12(16)10-4-6-17-8-10/h7,10H,3-6,8H2,1-2H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 124875006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).