N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide

C12H18N4O2 — CID 99955518

IUPACN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCNCC2)C1)c1ccn[nH]1
InChIInChI=1S/C12H18N4O2/c17-11(10-1-4-14-16-10)15-9-7-12(18-8-9)2-5-13-6-3-12/h1,4,9,13H,2-3,5-8H2,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyGDCXXZLFPRQURP-SECBINFHSA-N
MW250.30 g/mol
LogP0.05
Rot. Bonds2

About N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 99955518) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID99955518
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1COC2(CCNCC2)C1)c1ccn[nH]1
InChIInChI=1S/C12H18N4O2/c17-11(10-1-4-14-16-10)15-9-7-12(18-8-9)2-5-13-6-3-12/h1,4,9,13H,2-3,5-8H2,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyGDCXXZLFPRQURP-SECBINFHSA-N
XLogP0.05
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide (CID 99955518) is N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1COC2(CCNCC2)C1)c1ccn[nH]1.
What is the InChIKey of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is GDCXXZLFPRQURP-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(10-1-4-14-16-10)15-9-7-12(18-8-9)2-5-13-6-3-12/h1,4,9,13H,2-3,5-8H2,(H,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).