N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide

C12H19N3O2 — CID 95973460

IUPACN-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-9(4-6-17-11)7-13-12(16)10-3-5-14-15-10/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-,11+/m1/s1
InChIKeyHQYQOUJLNZNCFP-KOLCDFICSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds4

About N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 95973460) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID95973460
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccn[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)11-9(4-6-17-11)7-13-12(16)10-3-5-14-15-10/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-,11+/m1/s1
InChIKeyHQYQOUJLNZNCFP-KOLCDFICSA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 95973460) is N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide is CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HQYQOUJLNZNCFP-KOLCDFICSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11-9(4-6-17-11)7-13-12(16)10-3-5-14-15-10/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-,11+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95973460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).