N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine

C14H23N3O2 — CID 99703625

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-11-13(10-15-17)16-12-3-5-14(6-4-12)18-8-9-19-14/h10-12,16H,2-9H2,1H3
InChIKeyQUCWDZVRCISPLZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.39
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine (PubChem CID 99703625) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine
PubChem CID99703625
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-11-13(10-15-17)16-12-3-5-14(6-4-12)18-8-9-19-14/h10-12,16H,2-9H2,1H3
InChIKeyQUCWDZVRCISPLZ-UHFFFAOYSA-N
XLogP2.39
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine (CID 99703625) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine is CCCn1cc(NC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine?
The InChIKey is QUCWDZVRCISPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-17-11-13(10-15-17)16-12-3-5-14(6-4-12)18-8-9-19-14/h10-12,16H,2-9H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 99703625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).