4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide

C11H16N4O2 — CID 80715751

IUPAC4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC3CCC2O3)c1N
InChIInChI=1S/C11H16N4O2/c1-5-9(12)10(15-14-5)11(16)13-7-4-6-2-3-8(7)17-6/h6-8H,2-4,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyPLIUKRRXCCCAHO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 80715751) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID80715751
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC3CCC2O3)c1N
InChIInChI=1S/C11H16N4O2/c1-5-9(12)10(15-14-5)11(16)13-7-4-6-2-3-8(7)17-6/h6-8H,2-4,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyPLIUKRRXCCCAHO-UHFFFAOYSA-N
XLogP0.35
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

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4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
CID 62083352
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
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6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
CID 80731683
4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
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N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082306
3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
CID 80732430
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide (CID 80715751) is 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2CC3CCC2O3)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is PLIUKRRXCCCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5-9(12)10(15-14-5)11(16)13-7-4-6-2-3-8(7)17-6/h6-8H,2-4,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 80715751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).