3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide

C9H14N4O2 — CID 64525648

IUPAC3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC2CCCOC2)[nH]n1
InChIInChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13)
InChIKeyYEUWAVZZEKQVRU-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.10
Rot. Bonds2

About 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64525648) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID64525648
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC2CCCOC2)[nH]n1
InChIInChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13)
InChIKeyYEUWAVZZEKQVRU-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
CID 63361518
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64525063
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
3-amino-N-(4-propylcyclohexyl)-1H-pyrazole-5-carboxamide
CID 64524883
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
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3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide (CID 64525648) is 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NC2CCCOC2)[nH]n1.
What is the InChIKey of 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YEUWAVZZEKQVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-4-7(12-13-8)9(14)11-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,11,14)(H3,10,12,13).
What are the key properties of 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).