N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide

C9H14N4O2 — CID 114824273

IUPACN-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2[nH]ncc2N)CO1
InChIInChI=1S/C9H14N4O2/c1-5-2-6(4-15-5)9(14)12-8-7(10)3-11-13-8/h3,5-6H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyMXIYFLOCXKGYNN-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.36
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide

N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide (PubChem CID 114824273) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide
PubChem CID114824273
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2[nH]ncc2N)CO1
InChIInChI=1S/C9H14N4O2/c1-5-2-6(4-15-5)9(14)12-8-7(10)3-11-13-8/h3,5-6H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyMXIYFLOCXKGYNN-UHFFFAOYSA-N
XLogP0.36
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide (CID 114824273) is N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2[nH]ncc2N)CO1.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide?
The InChIKey is MXIYFLOCXKGYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-2-6(4-15-5)9(14)12-8-7(10)3-11-13-8/h3,5-6H,2,4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide?
N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114824273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).