2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine

C16H30N4 — CID 83094419

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)C1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H30N4/c1-11(2)9-20-8-7-13(17)14(20)12-10-19(6)18-15(12)16(3,4)5/h10-11,13-14H,7-9,17H2,1-6H3
InChIKeyBEKJCIKDPQQRPY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine (PubChem CID 83094419) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine
PubChem CID83094419
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CN1CCC(N)C1c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H30N4/c1-11(2)9-20-8-7-13(17)14(20)12-10-19(6)18-15(12)16(3,4)5/h10-11,13-14H,7-9,17H2,1-6H3
InChIKeyBEKJCIKDPQQRPY-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine (CID 83094419) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine is CC(C)CN1CCC(N)C1c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is BEKJCIKDPQQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(2)9-20-8-7-13(17)14(20)12-10-19(6)18-15(12)16(3,4)5/h10-11,13-14H,7-9,17H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-1-(2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.45, 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)-1-(2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 83094419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).