N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine

C11H18N4O — CID 99992582

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOCCn1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C11H18N4O/c1-16-7-6-15-9-10(8-13-15)14-11-4-2-3-5-12-11/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyTYAXQGRBMVVJJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.52
Rot. Bonds4

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 99992582) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID99992582
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOCCn1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C11H18N4O/c1-16-7-6-15-9-10(8-13-15)14-11-4-2-3-5-12-11/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyTYAXQGRBMVVJJM-UHFFFAOYSA-N
XLogP1.52
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine (CID 99992582) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine is COCCn1cc(NC2=NCCCC2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is TYAXQGRBMVVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-7-6-15-9-10(8-13-15)14-11-4-2-3-5-12-11/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 222.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 99992582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).