5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide

C10H16N4O2 — CID 58216902

IUPAC5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide
SMILESC[C@H]1COCC[C@H]1n1ncc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-5-16-3-2-8(6)14-9(11)7(4-13-14)10(12)15/h4,6,8H,2-3,5,11H2,1H3,(H2,12,15)/t6-,8+/m0/s1
InChIKeyWMKSSKMZHFKRTK-POYBYMJQSA-N
MW224.26 g/mol
LogP0.16
Rot. Bonds2

About 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide

5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide (PubChem CID 58216902) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide
PubChem CID58216902
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide
SMILESC[C@H]1COCC[C@H]1n1ncc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-5-16-3-2-8(6)14-9(11)7(4-13-14)10(12)15/h4,6,8H,2-3,5,11H2,1H3,(H2,12,15)/t6-,8+/m0/s1
InChIKeyWMKSSKMZHFKRTK-POYBYMJQSA-N
XLogP0.16
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide (CID 58216902) is 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide is C[C@H]1COCC[C@H]1n1ncc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide?
The InChIKey is WMKSSKMZHFKRTK-POYBYMJQSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-5-16-3-2-8(6)14-9(11)7(4-13-14)10(12)15/h4,6,8H,2-3,5,11H2,1H3,(H2,12,15)/t6-,8+/m0/s1.
What are the key properties of 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide?
5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 58216902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).