N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C12H18N4O2 — CID 138010877

IUPACN-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NC2CCNC23CCC3)cc1=O
InChIInChI=1S/C12H18N4O2/c1-16-10(17)7-8(15-16)11(18)14-9-3-6-13-12(9)4-2-5-12/h7,9,13,15H,2-6H2,1H3,(H,14,18)
InChIKeySTZLQSOSHGYPGX-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.27
Rot. Bonds2

About N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 138010877) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID138010877
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NC2CCNC23CCC3)cc1=O
InChIInChI=1S/C12H18N4O2/c1-16-10(17)7-8(15-16)11(18)14-9-3-6-13-12(9)4-2-5-12/h7,9,13,15H,2-6H2,1H3,(H,14,18)
InChIKeySTZLQSOSHGYPGX-UHFFFAOYSA-N
XLogP-0.27
TPSA78.92 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 ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 138010877) is N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(=O)NC2CCNC23CCC3)cc1=O.
What is the InChIKey of N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is STZLQSOSHGYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-10(17)7-8(15-16)11(18)14-9-3-6-13-12(9)4-2-5-12/h7,9,13,15H,2-6H2,1H3,(H,14,18).
What are the key properties of N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.4]octan-8-yl)-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138010877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).