1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide

C17H21N3O2 — CID 129002180

IUPAC1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-2-20-12-15(11-19-20)17(21)18-10-14-8-9-22-16(14)13-6-4-3-5-7-13/h3-7,11-12,14,16H,2,8-10H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyZXRXXZZODMHKCT-GDBMZVCRSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds5

About 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 129002180) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID129002180
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-2-20-12-15(11-19-20)17(21)18-10-14-8-9-22-16(14)13-6-4-3-5-7-13/h3-7,11-12,14,16H,2,8-10H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyZXRXXZZODMHKCT-GDBMZVCRSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide (CID 129002180) is 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZXRXXZZODMHKCT-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20-12-15(11-19-20)17(21)18-10-14-8-9-22-16(14)13-6-4-3-5-7-13/h3-7,11-12,14,16H,2,8-10H2,1H3,(H,18,21)/t14-,16-/m1/s1.
What are the key properties of 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129002180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).