2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile

C16H26N4 — CID 83089771

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
SMILESCn1cc(C(C#N)NC2CCCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-13(11-20(4)19-15)14(10-17)18-12-8-6-5-7-9-12/h11-12,14,18H,5-9H2,1-4H3
InChIKeyFDWIFTVRSOPOEC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile (PubChem CID 83089771) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
PubChem CID83089771
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
SMILESCn1cc(C(C#N)NC2CCCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C16H26N4/c1-16(2,3)15-13(11-20(4)19-15)14(10-17)18-12-8-6-5-7-9-12/h11-12,14,18H,5-9H2,1-4H3
InChIKeyFDWIFTVRSOPOEC-UHFFFAOYSA-N
XLogP3.20
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
CID 83089524
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 83089110
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(prop-2-ynylamino)acetonitrile
CID 83089198
2-(cycloheptylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 54894537
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 83091019
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
CID 83090014
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83090215
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-chloro-N-cyclopropylacetamide
CID 83094856
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile (CID 83089771) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile is Cn1cc(C(C#N)NC2CCCCC2)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile?
The InChIKey is FDWIFTVRSOPOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(2,3)15-13(11-20(4)19-15)14(10-17)18-12-8-6-5-7-9-12/h11-12,14,18H,5-9H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile has a molecular weight of 274.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile is sourced from PubChem (CID 83089771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).