(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone

C14H22N4O — CID 63161995

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H22N4O/c1-10-11(12(15)17-16-10)13(19)18-8-6-14(7-9-18)4-2-3-5-14/h2-9H2,1H3,(H3,15,16,17)
InChIKeyDMKBLDXBTUSGLZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.10
Rot. Bonds1

About (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 63161995) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID63161995
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H22N4O/c1-10-11(12(15)17-16-10)13(19)18-8-6-14(7-9-18)4-2-3-5-14/h2-9H2,1H3,(H3,15,16,17)
InChIKeyDMKBLDXBTUSGLZ-UHFFFAOYSA-N
XLogP2.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone (CID 63161995) is (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone is Cc1[nH]nc(N)c1C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is DMKBLDXBTUSGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-11(12(15)17-16-10)13(19)18-8-6-14(7-9-18)4-2-3-5-14/h2-9H2,1H3,(H3,15,16,17).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 63161995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).