4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine

C12H18ClN3O — CID 79903866

IUPAC4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
SMILESNc1nn(C2CCOC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-8-16(15-11(10)14)9-3-6-17-12(7-9)4-1-2-5-12/h8-9H,1-7H2,(H2,14,15)
InChIKeySOPPZDDWGHJAPT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.78
Rot. Bonds1

About 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine

4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine (PubChem CID 79903866) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
PubChem CID79903866
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
SMILESNc1nn(C2CCOC3(CCCC3)C2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c13-10-8-16(15-11(10)14)9-3-6-17-12(7-9)4-1-2-5-12/h8-9H,1-7H2,(H2,14,15)
InChIKeySOPPZDDWGHJAPT-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
4-bromo-3-iodo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79907677
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
CID 165465012
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
1-(5-oxaspiro[3.5]nonan-8-yl)-1,2,4-triazole-3-carbonitrile
CID 79920603
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826
4-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344331
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344151
4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine (CID 79903866) is 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine is Nc1nn(C2CCOC3(CCCC3)C2)cc1Cl.
What is the InChIKey of 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine?
The InChIKey is SOPPZDDWGHJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-10-8-16(15-11(10)14)9-3-6-17-12(7-9)4-1-2-5-12/h8-9H,1-7H2,(H2,14,15).
What are the key properties of 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine?
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine has a molecular weight of 255.75 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine is sourced from PubChem (CID 79903866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).