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

C15H24N4 — CID 83089524

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
SMILESCn1cc(C(C#N)NC2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24N4/c1-15(2,3)14-12(10-19(4)18-14)13(9-16)17-11-7-5-6-8-11/h10-11,13,17H,5-8H2,1-4H3
InChIKeyOASXWAIIYJVQHE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds3

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

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile (PubChem CID 83089524) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
PubChem CID83089524
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
SMILESCn1cc(C(C#N)NC2CCCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24N4/c1-15(2,3)14-12(10-19(4)18-14)13(9-16)17-11-7-5-6-8-11/h10-11,13,17H,5-8H2,1-4H3
InChIKeyOASXWAIIYJVQHE-UHFFFAOYSA-N
XLogP2.81
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
CID 83089771
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-(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
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-chloro-N-cyclopropylacetamide
CID 83094856
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83090215
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375950

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile (CID 83089524) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile is Cn1cc(C(C#N)NC2CCCC2)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile?
The InChIKey is OASXWAIIYJVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-15(2,3)14-12(10-19(4)18-14)13(9-16)17-11-7-5-6-8-11/h10-11,13,17H,5-8H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.81, 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-(cyclopentylamino)acetonitrile is sourced from PubChem (CID 83089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).