N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine

C12H20N4 — CID 99992573

IUPACN-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCn1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C12H20N4/c1-2-3-8-16-10-11(9-14-16)15-12-6-4-5-7-13-12/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyIYPCHGFFDVFBLI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds4

About N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 99992573) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID99992573
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCCn1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C12H20N4/c1-2-3-8-16-10-11(9-14-16)15-12-6-4-5-7-13-12/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyIYPCHGFFDVFBLI-UHFFFAOYSA-N
XLogP2.68
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 99992573) is N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine is CCCCn1cc(NC2=NCCCC2)cn1.
What is the InChIKey of N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is IYPCHGFFDVFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-3-8-16-10-11(9-14-16)15-12-6-4-5-7-13-12/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 220.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrazol-4-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 99992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).