1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile

C17H26N4 — CID 82698987

IUPAC1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCc1cc(CC)n(C2CCCC(C#N)(NC3CC3)C2)n1
InChIInChI=1S/C17H26N4/c1-3-13-10-15(4-2)21(20-13)16-6-5-9-17(11-16,12-18)19-14-7-8-14/h10,14,16,19H,3-9,11H2,1-2H3
InChIKeyVUAASBOSAOCPKI-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.14
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 82698987) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
PubChem CID82698987
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCc1cc(CC)n(C2CCCC(C#N)(NC3CC3)C2)n1
InChIInChI=1S/C17H26N4/c1-3-13-10-15(4-2)21(20-13)16-6-5-9-17(11-16,12-18)19-14-7-8-14/h10,14,16,19H,3-9,11H2,1-2H3
InChIKeyVUAASBOSAOCPKI-UHFFFAOYSA-N
XLogP3.14
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile (CID 82698987) is 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile is CCc1cc(CC)n(C2CCCC(C#N)(NC3CC3)C2)n1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is VUAASBOSAOCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-13-10-15(4-2)21(20-13)16-6-5-9-17(11-16,12-18)19-14-7-8-14/h10,14,16,19H,3-9,11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 82698987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).