N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine

C17H29N3O — CID 71711516

IUPACN-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine
SMILESc1c(OCCCCNC2CCCCC2)nn2c1CCCC2
InChIInChI=1S/C17H29N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h14-15,18H,1-13H2
InChIKeyHKLVXIKJCBJISJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine

N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine (PubChem CID 71711516) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine.

Molecular Properties

Compound NameN-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine
PubChem CID71711516
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine
SMILESc1c(OCCCCNC2CCCCC2)nn2c1CCCC2
InChIInChI=1S/C17H29N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h14-15,18H,1-13H2
InChIKeyHKLVXIKJCBJISJ-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine?
The IUPAC name of N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine (CID 71711516) is N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine.
What is the SMILES notation for N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine?
The canonical SMILES for N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine is c1c(OCCCCNC2CCCCC2)nn2c1CCCC2.
What is the InChIKey of N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine?
The InChIKey is HKLVXIKJCBJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h14-15,18H,1-13H2.
What are the key properties of N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine?
N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine has a molecular weight of 291.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]cyclohexanamine is sourced from PubChem (CID 71711516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).