1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine

C17H30N4 — CID 62139355

IUPAC1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H30N4/c18-15-13-19-20(14-15)11-12-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-14,16-17H,1-12,18H2
InChIKeyVLAVJHNWQMAOPB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine

1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine (PubChem CID 62139355) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine
PubChem CID62139355
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H30N4/c18-15-13-19-20(14-15)11-12-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-14,16-17H,1-12,18H2
InChIKeyVLAVJHNWQMAOPB-UHFFFAOYSA-N
XLogP3.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine (CID 62139355) is 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine is Nc1cnn(CCN(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine?
The InChIKey is VLAVJHNWQMAOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c18-15-13-19-20(14-15)11-12-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-14,16-17H,1-12,18H2.
What are the key properties of 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine?
1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dicyclohexylamino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62139355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).