5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide

C9H14N4O2 — CID 63361518

IUPAC5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCCOC1
InChIInChI=1S/C9H14N4O2/c10-8-7(4-11-13-8)9(14)12-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,14)(H3,10,11,13)
InChIKeyCKTHFWPHOHNEKZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.10
Rot. Bonds2

About 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide

5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 63361518) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID63361518
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCCOC1
InChIInChI=1S/C9H14N4O2/c10-8-7(4-11-13-8)9(14)12-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,14)(H3,10,11,13)
InChIKeyCKTHFWPHOHNEKZ-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

3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
3-hydrazinyl-N-(oxan-3-yl)pyridine-4-carboxamide
CID 105072165
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745
(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone
CID 65360438
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide (CID 63361518) is 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NC1CCCOC1.
What is the InChIKey of 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is CKTHFWPHOHNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-7(4-11-13-8)9(14)12-6-2-1-3-15-5-6/h4,6H,1-3,5H2,(H,12,14)(H3,10,11,13).
What are the key properties of 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide?
5-amino-N-(oxan-3-yl)-1H-pyrazole-4-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 5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63361518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).